3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-ol

C12H14ClFO — CID 103050503

IUPAC3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-ol
SMILESOC1CCC(Cc2cc(Cl)ccc2F)C1
InChIInChI=1S/C12H14ClFO/c13-10-2-4-12(14)9(7-10)5-8-1-3-11(15)6-8/h2,4,7-8,11,15H,1,3,5-6H2
InChIKeyVFKLCSKURLDFOE-UHFFFAOYSA-N
MW228.69 g/mol
LogP3.18
Rot. Bonds2

About 3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-ol

3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-ol (PubChem CID 103050503) has the molecular formula C12H14ClFO and a molecular weight of 228.69 g/mol. Its IUPAC name is 3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-ol
PubChem CID103050503
Molecular FormulaC12H14ClFO
Molecular Weight228.69 g/mol
Exact Mass228.07
IUPAC Name3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-ol
SMILESOC1CCC(Cc2cc(Cl)ccc2F)C1
InChIInChI=1S/C12H14ClFO/c13-10-2-4-12(14)9(7-10)5-8-1-3-11(15)6-8/h2,4,7-8,11,15H,1,3,5-6H2
InChIKeyVFKLCSKURLDFOE-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.69
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol
CID 64515583
4-[(2,5-difluorophenyl)methyl]cyclohexan-1-ol
CID 116928452
3-[(5-chloro-2-fluorophenyl)methyl]cyclohexan-1-amine
CID 103050406
1-chloro-3-[(5-chloro-2-fluorophenyl)methyl]cycloheptane
CID 103050549
3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol
CID 64513208
4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol
CID 103270835
3-[(2,3-dichlorophenyl)methyl]cyclopentan-1-ol
CID 107310340
3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-one
CID 103050383
4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147064
3-[[(2-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270976
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 114842332
3-[[1-(2,6-dichloro-3-fluorophenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271297

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-ol?
The IUPAC name of 3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-ol (CID 103050503) is 3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-ol is OC1CCC(Cc2cc(Cl)ccc2F)C1.
What is the InChIKey of 3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-ol?
The InChIKey is VFKLCSKURLDFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO/c13-10-2-4-12(14)9(7-10)5-8-1-3-11(15)6-8/h2,4,7-8,11,15H,1,3,5-6H2.
What are the key properties of 3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-ol?
3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-ol has a molecular weight of 228.69 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-fluorophenyl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 103050503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).