(2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone

C12H12F2O2 — CID 103447921

IUPAC(2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone
SMILESO=C(c1ccc(F)cc1F)C1(O)CCCC1
InChIInChI=1S/C12H12F2O2/c13-8-3-4-9(10(14)7-8)11(15)12(16)5-1-2-6-12/h3-4,7,16H,1-2,5-6H2
InChIKeyUGTBKVJVUYYCDV-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.45
Rot. Bonds2

About (2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone

(2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone (PubChem CID 103447921) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone
PubChem CID103447921
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name(2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone
SMILESO=C(c1ccc(F)cc1F)C1(O)CCCC1
InChIInChI=1S/C12H12F2O2/c13-8-3-4-9(10(14)7-8)11(15)12(16)5-1-2-6-12/h3-4,7,16H,1-2,5-6H2
InChIKeyUGTBKVJVUYYCDV-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-5-fluorophenyl)-(1-hydroxycyclopentyl)methanone
CID 103447915
(2-chloro-5-fluorophenyl)-(1-hydroxycyclohexyl)methanone
CID 103449806
1-[4-(2,4-difluorobenzoyl)-4-hydroxypiperidin-1-yl]prop-2-en-1-one
CID 166415252
1-[(2,4-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329545
(2,4-difluorophenyl)-[1-(1,2,4-triazol-1-yl)cyclopropyl]methanone
CID 139082217
1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24708713
2-(1-aminocyclobutyl)-1-(2,4-difluorophenyl)ethanone
CID 116591215
(1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone
CID 116579252
ethyl 1-(2,4-difluorobenzoyl)cyclopropane-1-carboxylate
CID 14994815
2,4-difluorobenzoyl bromide
CID 87349807
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 119316330

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone (CID 103447921) is (2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone is O=C(c1ccc(F)cc1F)C1(O)CCCC1.
What is the InChIKey of (2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone?
The InChIKey is UGTBKVJVUYYCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c13-8-3-4-9(10(14)7-8)11(15)12(16)5-1-2-6-12/h3-4,7,16H,1-2,5-6H2.
What are the key properties of (2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone?
(2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone has a molecular weight of 226.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(1-hydroxycyclopentyl)methanone is sourced from PubChem (CID 103447921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).