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[(2S)-1-benzyl-4,4-difluoropyrrolidin-2-yl]methanol

[(2S)-1-benzyl-4,4-difluoropyrrolidin-2-yl]methanol

CAS: 1318129-12-2

Formula: C12H15F2NO

SMILES: OC[C@@H]1CC(F)(F)CN1CC1=CC=CC=C1

IUPAC: [(2S)-1-benzyl-4,4-difluoropyrrolidin-2-yl]methanol

InChI: InChI=1S/C12H15F2NO/c13-12(14)6-11(8-16)15(9-12)7-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2/t11-/m0/s1

Composition: C (63.42%), H (6.65%), F (16.72%), N (6.16%), O (7.04%)

Molar Mass: 227.255

Atom Count: 31

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 227.112170433
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PXQLZEMKQFOLDT-NSHDSACASA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.71
Topological Polar Surface Area 23.47
Polarizability 22.22
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1318129-12-2 $221.95-$6,762.00$221.95$327.75$540.50$966.00$1,817.00$6,762.00
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