1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol

C12H15F2NO — CID 80605715

IUPAC1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol
SMILESOC1(C(F)F)CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H15F2NO/c13-11(14)12(16)6-7-15(9-12)8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2
InChIKeyUSYQPLKMDDHNNU-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.89
Rot. Bonds3

About 1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol

1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol (PubChem CID 80605715) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol
PubChem CID80605715
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol
SMILESOC1(C(F)F)CCN(Cc2ccccc2)C1
InChIInChI=1S/C12H15F2NO/c13-11(14)12(16)6-7-15(9-12)8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2
InChIKeyUSYQPLKMDDHNNU-UHFFFAOYSA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid
CID 55071707
4-(difluoromethyl)-1-(2-phenylethyl)piperidin-4-ol
CID 80604289
(3R)-3-(difluoromethyl)-1-(furan-2-ylmethyl)pyrrolidin-3-ol
CID 129349310
(4R)-1-benzyl-3,3-difluoro-4-phenylpiperidin-4-ol
CID 97357069
ethyl 2-(1-benzyl-3-hydroxypiperidin-3-yl)-2-fluoroacetate
CID 79369064
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
1-benzyl-4-[bis[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-ol
CID 11497364
4-[1-(1-benzyl-4-hydroxypiperidin-4-yl)ethyl]benzoic acid
CID 68967376
3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one
CID 145155415
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-3-(fluoromethyl)pyrrolidine-3-carboxylic acid
CID 19691457

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol (CID 80605715) is 1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol is OC1(C(F)F)CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol?
The InChIKey is USYQPLKMDDHNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-11(14)12(16)6-7-15(9-12)8-10-4-2-1-3-5-10/h1-5,11,16H,6-9H2.
What are the key properties of 1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol?
1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol has a molecular weight of 227.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 80605715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).