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4-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile

4-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile

CAS: 845866-48-0

Formula: C7H7F3N2

SMILES: FC(F)(F)C1CCNC=C1C#N

IUPAC: 4-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile

InChI: InChI=1/C7H7F3N2/c8-7(9,10)6-1-2-12-4-5(6)3-11/h4,6,12H,1-2H2

Composition: C (47.73%), H (4.01%), F (32.36%), N (15.90%)

Molar Mass: 176.142

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 176.056132722
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ITPHFEKXAAEMQS-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.31
Topological Polar Surface Area 35.82
Polarizability 13.16
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <8 Days 845866-48-0 $145.71-$2,098.29$145.71$437.14$699.43$1,311.43$2,098.29
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