[2-(3,4-difluorophenyl)cyclopropyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C15H17F2NO2 — CID 86817266

IUPAC[2-(3,4-difluorophenyl)cyclopropyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1c1ccc(F)c(F)c1)N1CCCC1CO
InChIInChI=1S/C15H17F2NO2/c16-13-4-3-9(6-14(13)17)11-7-12(11)15(20)18-5-1-2-10(18)8-19/h3-4,6,10-12,19H,1-2,5,7-8H2
InChIKeyUSTYVSJRQDXBHI-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.05
Rot. Bonds3

About [2-(3,4-difluorophenyl)cyclopropyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone

[2-(3,4-difluorophenyl)cyclopropyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 86817266) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)cyclopropyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)cyclopropyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID86817266
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC Name[2-(3,4-difluorophenyl)cyclopropyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1c1ccc(F)c(F)c1)N1CCCC1CO
InChIInChI=1S/C15H17F2NO2/c16-13-4-3-9(6-14(13)17)11-7-12(11)15(20)18-5-1-2-10(18)8-19/h3-4,6,10-12,19H,1-2,5,7-8H2
InChIKeyUSTYVSJRQDXBHI-UHFFFAOYSA-N
XLogP2.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-3-amino-4-(2,5-difluorophenyl)-1-((S)-2-(hydroxymethyl)pyrrolidin-1-yl)butan-1-one
CID 44561118
(4R,5R)-5-[(S)-3-(4-Fluoro-phenyl)-1-hydroxy-propyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397917
(3R*,4R*)-3-cyclobutyl-1-[3-(2,4-difluorophenyl)propanoyl]-4-methyl-3-pyrrolidinol
CID 72905048
[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-cyclopropylmethanone
CID 97391952
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 11096114
N-(3-phenylpropionyl)-prolinol
CID 13632918
(4R,5R)-5-(hydroxymethyl)-1-methyl-4-phenylpyrrolidin-2-one
CID 13825981
(4S,5S)-5-(Hydroxymethyl)-1-methyl-4-phenyl-2-pyrrolidinone
CID 13825982
N-ethyl-3-(2-fluorophenyl)-N-(2-hydroxy-1-methylethyl)propanamide
CID 56756286
N-butyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)butanamide
CID 71845846
N-cyclopropyl-3-(2,6-difluorophenyl)-N-(2-hydroxyethyl)propanamide
CID 71847757
3-(2-Fluorophenyl)-1-[(3S)-3-hydroxypyrrolidin-1-YL]-2-methylpropan-1-one
CID 71857988

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)cyclopropyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(3,4-difluorophenyl)cyclopropyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 86817266) is [2-(3,4-difluorophenyl)cyclopropyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(3,4-difluorophenyl)cyclopropyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(3,4-difluorophenyl)cyclopropyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(C1CC1c1ccc(F)c(F)c1)N1CCCC1CO.
What is the InChIKey of [2-(3,4-difluorophenyl)cyclopropyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is USTYVSJRQDXBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2/c16-13-4-3-9(6-14(13)17)11-7-12(11)15(20)18-5-1-2-10(18)8-19/h3-4,6,10-12,19H,1-2,5,7-8H2.
What are the key properties of [2-(3,4-difluorophenyl)cyclopropyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
[2-(3,4-difluorophenyl)cyclopropyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 281.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)cyclopropyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 86817266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).