2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol

C16H21F2NO — CID 114339286

IUPAC2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESOC1CCCC1C1CCCN1Cc1ccc(F)cc1F
InChIInChI=1S/C16H21F2NO/c17-12-7-6-11(14(18)9-12)10-19-8-2-4-15(19)13-3-1-5-16(13)20/h6-7,9,13,15-16,20H,1-5,8,10H2
InChIKeyYHNHKZMAUKDFNH-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.09
Rot. Bonds3

About 2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol

2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 114339286) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID114339286
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
SMILESOC1CCCC1C1CCCN1Cc1ccc(F)cc1F
InChIInChI=1S/C16H21F2NO/c17-12-7-6-11(14(18)9-12)10-19-8-2-4-15(19)13-3-1-5-16(13)20/h6-7,9,13,15-16,20H,1-5,8,10H2
InChIKeyYHNHKZMAUKDFNH-UHFFFAOYSA-N
XLogP3.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339484
2-[1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 105376720
2-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114350545
2-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 105412100
2-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340133
2-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339551
1-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908716
(8aR,11aS)-1-[(2,4-difluorophenyl)methyl]-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201581
2-[1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339317
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339702
(2,4-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone
CID 79539007
2-fluoro-5-[[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480461

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol (CID 114339286) is 2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol is OC1CCCC1C1CCCN1Cc1ccc(F)cc1F.
What is the InChIKey of 2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is YHNHKZMAUKDFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c17-12-7-6-11(14(18)9-12)10-19-8-2-4-15(19)13-3-1-5-16(13)20/h6-7,9,13,15-16,20H,1-5,8,10H2.
What are the key properties of 2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 281.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 114339286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).