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1-(2,2,2-trifluoroacetyl)piperidine-4-carbonitrile

1-(2,2,2-trifluoroacetyl)piperidine-4-carbonitrile

CAS: 77940-79-5

Formula: C8H9F3N2O

SMILES: FC(F)(F)C(=O)N1CCC(CC1)C#N

IUPAC: 1-(2,2,2-trifluoroacetyl)piperidine-4-carbonitrile

InChI: InChI=1S/C8H9F3N2O/c9-8(10,11)7(14)13-3-1-6(5-12)2-4-13/h6H,1-4H2

Composition: C (46.61%), H (4.40%), F (27.65%), N (13.59%), O (7.76%)

Molar Mass: 206.168

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 206.066697407
Formal Charge 0
FSP3 0.75
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MHJDPMGTFYYMMM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.63
Topological Polar Surface Area 44.1
Polarizability 15.41
Ring Count 1
Rotatable Bond Count 1

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OTAVA LTD.
Purity LeadTime CAS PacketSize UnitPrice
95% <10 Days 77940-79-5 $181.82-$425.21$181.82$234.60$308.89$425.21
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Struchem co.,ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 77940-79-5 $1,460.00-$3,190.00$1,460.00$1,700.00$3,190.00
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