1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol

C13H16ClFO2 — CID 103448325

IUPAC1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol
SMILESOC(Cc1c(F)cccc1Cl)C1(O)CCCC1
InChIInChI=1S/C13H16ClFO2/c14-10-4-3-5-11(15)9(10)8-12(16)13(17)6-1-2-7-13/h3-5,12,16-17H,1-2,6-8H2
InChIKeyTWEBHVPUNDVQHF-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.69
Rot. Bonds3

About 1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol

1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol (PubChem CID 103448325) has the molecular formula C13H16ClFO2 and a molecular weight of 258.72 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol
PubChem CID103448325
Molecular FormulaC13H16ClFO2
Molecular Weight258.72 g/mol
Exact Mass258.08
IUPAC Name1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol
SMILESOC(Cc1c(F)cccc1Cl)C1(O)CCCC1
InChIInChI=1S/C13H16ClFO2/c14-10-4-3-5-11(15)9(10)8-12(16)13(17)6-1-2-7-13/h3-5,12,16-17H,1-2,6-8H2
InChIKeyTWEBHVPUNDVQHF-UHFFFAOYSA-N
XLogP2.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452109
2-(2-chloro-6-fluorophenyl)-1-(1-methoxycycloheptyl)ethanol
CID 116755966
1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452151
1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452055
[1-[(2-chloro-6-fluorophenyl)methyl]cyclopentyl]methanol
CID 66026117
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
1-[2-(2-chloro-6-fluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070602
1-chloro-2-[2-chloro-2-(2-methylcyclopentyl)ethyl]-3-fluorobenzene
CID 107183519
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol
CID 66024328
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile
CID 82078369

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol (CID 103448325) is 1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol is OC(Cc1c(F)cccc1Cl)C1(O)CCCC1.
What is the InChIKey of 1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol?
The InChIKey is TWEBHVPUNDVQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO2/c14-10-4-3-5-11(15)9(10)8-12(16)13(17)6-1-2-7-13/h3-5,12,16-17H,1-2,6-8H2.
What are the key properties of 1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol?
1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol has a molecular weight of 258.72 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol is sourced from PubChem (CID 103448325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).