3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-ol

C12H12F2O — CID 65174539

IUPAC3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-ol
SMILESOC1C=C(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C12H12F2O/c13-11-3-1-2-9(12(11)14)6-8-4-5-10(15)7-8/h1-3,7,10,15H,4-6H2
InChIKeyKLYCFILWHVQWIL-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.59
Rot. Bonds2

About 3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-ol

3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-ol (PubChem CID 65174539) has the molecular formula C12H12F2O and a molecular weight of 210.22 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-ol
PubChem CID65174539
Molecular FormulaC12H12F2O
Molecular Weight210.22 g/mol
Exact Mass210.09
IUPAC Name3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-ol
SMILESOC1C=C(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C12H12F2O/c13-11-3-1-2-9(12(11)14)6-8-4-5-10(15)7-8/h1-3,7,10,15H,4-6H2
InChIKeyKLYCFILWHVQWIL-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-one
CID 65174626
3-[(2-chloro-6-fluorophenyl)methyl]cyclohex-2-en-1-ol
CID 65176934
3-[(2-methylphenyl)methyl]cyclohex-2-en-1-ol
CID 65172216
1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
CID 43658793
4-[(2,3-difluorophenyl)methyl]thiolan-3-ol
CID 83190277
(2,3-difluorophenyl)methanamine
CID 2736941
3-[(2,3-difluorophenyl)methyl]-8-thiabicyclo[3.2.1]octan-3-ol
CID 171961736
N-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 134039074
2-(2,3-difluorophenyl)-1-[4-(methylamino)oxolan-3-yl]ethanone
CID 116561547
tert-butyl 7-[(2,3-difluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene-9-carboxylate
CID 171970482
4-[(2-fluorophenyl)methyl]cyclohex-3-en-1-amine
CID 83261880
1,2-difluoro-3-(iodomethyl)benzene
CID 64789130

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-ol?
The IUPAC name of 3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-ol (CID 65174539) is 3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-ol.
What is the SMILES notation for 3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-ol?
The canonical SMILES for 3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-ol is OC1C=C(Cc2cccc(F)c2F)CC1.
What is the InChIKey of 3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-ol?
The InChIKey is KLYCFILWHVQWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O/c13-11-3-1-2-9(12(11)14)6-8-4-5-10(15)7-8/h1-3,7,10,15H,4-6H2.
What are the key properties of 3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-ol?
3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-ol has a molecular weight of 210.22 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 65174539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).