1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol

C12H14F2O2 — CID 103448384

IUPAC1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol
SMILESOC(c1cccc(F)c1F)C1(O)CCCC1
InChIInChI=1S/C12H14F2O2/c13-9-5-3-4-8(10(9)14)11(15)12(16)6-1-2-7-12/h3-5,11,15-16H,1-2,6-7H2
InChIKeyNVKDVIJNQPPXBZ-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.30
Rot. Bonds2

About 1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol

1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol (PubChem CID 103448384) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol
PubChem CID103448384
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol
SMILESOC(c1cccc(F)c1F)C1(O)CCCC1
InChIInChI=1S/C12H14F2O2/c13-9-5-3-4-8(10(9)14)11(15)12(16)6-1-2-7-12/h3-5,11,15-16H,1-2,6-7H2
InChIKeyNVKDVIJNQPPXBZ-UHFFFAOYSA-N
XLogP2.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-difluoro-4-methylphenyl)-hydroxymethyl]cyclopentan-1-ol
CID 107513043
(2,3-difluorophenyl)-(1-ethoxycyclohexyl)methanol
CID 116753674
1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol
CID 103451980
[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-(2,3-difluorophenyl)methanol
CID 115338541
1-[(4-bromo-3-chloro-2-fluorophenyl)-hydroxymethyl]cyclohexan-1-ol
CID 106762196
(2,3-difluorophenyl)-(1-phenylcyclopentyl)methanamine
CID 63988826
1-[hydroxy(quinolin-8-yl)methyl]cycloheptan-1-ol
CID 103451995
cyclopentyl-(2,3-difluorophenyl)methanol
CID 63894572
(1-aminocyclopentyl)-(2-fluorophenyl)methanol
CID 82283865
(2,3-difluorophenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754234
1-amino-1-(2,3-difluorophenyl)propan-2-ol
CID 55273515
1-[3,4-dihydro-2H-chromen-8-yl(hydroxy)methyl]cyclohexan-1-ol
CID 103451616

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol (CID 103448384) is 1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol is OC(c1cccc(F)c1F)C1(O)CCCC1.
What is the InChIKey of 1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol?
The InChIKey is NVKDVIJNQPPXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c13-9-5-3-4-8(10(9)14)11(15)12(16)6-1-2-7-12/h3-5,11,15-16H,1-2,6-7H2.
What are the key properties of 1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol?
1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol has a molecular weight of 228.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)-hydroxymethyl]cyclopentan-1-ol is sourced from PubChem (CID 103448384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).