(2,4-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone

C16H19F2NO2 — CID 79539007

IUPAC(2,4-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCCC1C1CCCC1O
InChIInChI=1S/C16H19F2NO2/c17-10-6-7-11(13(18)9-10)16(21)19-8-2-4-14(19)12-3-1-5-15(12)20/h6-7,9,12,14-15,20H,1-5,8H2
InChIKeyBPHRSMVDRLHSCI-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.73
Rot. Bonds2

About (2,4-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone

(2,4-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone (PubChem CID 79539007) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone
PubChem CID79539007
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name(2,4-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCCC1C1CCCC1O
InChIInChI=1S/C16H19F2NO2/c17-10-6-7-11(13(18)9-10)16(21)19-8-2-4-14(19)12-3-1-5-15(12)20/h6-7,9,12,14-15,20H,1-5,8H2
InChIKeyBPHRSMVDRLHSCI-UHFFFAOYSA-N
XLogP2.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl)-[2-(2-hydroxycyclopentyl)piperidin-1-yl]methanone
CID 79537046
(2,6-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone
CID 79539009
1-(2,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016788
(2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
CID 60978149
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
[2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 55186080
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-bromo-2-fluorophenyl)methanone
CID 65320678
(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 68625081
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,4-difluorophenyl)methanone
CID 43594616
2-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339286
(2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486996
(2,4-difluoro-5-methylphenyl)-[(3S)-3-[(1S,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129486997

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone (CID 79539007) is (2,4-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone is O=C(c1ccc(F)cc1F)N1CCCC1C1CCCC1O.
What is the InChIKey of (2,4-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone?
The InChIKey is BPHRSMVDRLHSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO2/c17-10-6-7-11(13(18)9-10)16(21)19-8-2-4-14(19)12-3-1-5-15(12)20/h6-7,9,12,14-15,20H,1-5,8H2.
What are the key properties of (2,4-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone?
(2,4-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone has a molecular weight of 295.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 79539007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).