[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol

C13H16ClFO — CID 102863615

IUPAC[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol
SMILESOCC1(Cc2cccc(Cl)c2F)CCCC1
InChIInChI=1S/C13H16ClFO/c14-11-5-3-4-10(12(11)15)8-13(9-16)6-1-2-7-13/h3-5,16H,1-2,6-9H2
InChIKeyICMXXROZTIMLQL-UHFFFAOYSA-N
MW242.72 g/mol
LogP3.57
Rot. Bonds3

About [1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol

[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol (PubChem CID 102863615) has the molecular formula C13H16ClFO and a molecular weight of 242.72 g/mol. Its IUPAC name is [1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol
PubChem CID102863615
Molecular FormulaC13H16ClFO
Molecular Weight242.72 g/mol
Exact Mass242.09
IUPAC Name[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol
SMILESOCC1(Cc2cccc(Cl)c2F)CCCC1
InChIInChI=1S/C13H16ClFO/c14-11-5-3-4-10(12(11)15)8-13(9-16)6-1-2-7-13/h3-5,16H,1-2,6-9H2
InChIKeyICMXXROZTIMLQL-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methanol
CID 102863614
1-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-fluorobenzene
CID 102863764
[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 102858966
1-[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 102858759
[1-[(2-chloro-6-fluorophenyl)methyl]cyclopentyl]methanol
CID 66026117
1-[(3-chloro-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 102858764
[1-[(2-chlorophenyl)methyl]cyclopropyl]methanol
CID 66024776
[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol
CID 66024328
8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol
CID 102857061
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 102858970
2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447949

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol (CID 102863615) is [1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol is OCC1(Cc2cccc(Cl)c2F)CCCC1.
What is the InChIKey of [1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol?
The InChIKey is ICMXXROZTIMLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO/c14-11-5-3-4-10(12(11)15)8-13(9-16)6-1-2-7-13/h3-5,16H,1-2,6-9H2.
What are the key properties of [1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol?
[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol has a molecular weight of 242.72 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol is sourced from PubChem (CID 102863615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).