2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol

C11H11BrClFO — CID 106763335

IUPAC2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol
SMILESOC1CCCC1c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H11BrClFO/c12-8-5-4-7(11(14)10(8)13)6-2-1-3-9(6)15/h4-6,9,15H,1-3H2
InChIKeyJZWKTSPILSIWNK-UHFFFAOYSA-N
MW293.56 g/mol
LogP3.87
Rot. Bonds1

About 2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol

2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol (PubChem CID 106763335) has the molecular formula C11H11BrClFO and a molecular weight of 293.56 g/mol. Its IUPAC name is 2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol
PubChem CID106763335
Molecular FormulaC11H11BrClFO
Molecular Weight293.56 g/mol
Exact Mass291.97
IUPAC Name2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol
SMILESOC1CCCC1c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C11H11BrClFO/c12-8-5-4-7(11(14)10(8)13)6-2-1-3-9(6)15/h4-6,9,15H,1-3H2
InChIKeyJZWKTSPILSIWNK-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.56
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine
CID 106763835
2-(4-bromo-3-chloro-2-fluorophenyl)cyclobutane-1-carboxylic acid
CID 106763779
N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclohexyl]methyl]propan-2-amine
CID 106763841
N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 106763843
(1S)-2-(4-bromo-2-fluorophenyl)cyclohexan-1-ol
CID 70306555
2-(2-fluoro-3-methoxyphenyl)cyclopentan-1-ol
CID 82812195
(4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol
CID 112743426
2-(2-fluorophenyl)cyclopentan-1-ol
CID 62596714
cis-(1S,2S)-2-(2-chlorophenyl)cyclopentan-1-ol
CID 94503761
1-[2-(4-bromo-3-chloro-2-fluorophenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 106763857
(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
CID 106761352
cis-(1S,2S)-2-(3-fluorophenyl)cyclopentan-1-ol
CID 26594926

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol?
The IUPAC name of 2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol (CID 106763335) is 2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol.
What is the SMILES notation for 2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol?
The canonical SMILES for 2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol is OC1CCCC1c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol?
The InChIKey is JZWKTSPILSIWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClFO/c12-8-5-4-7(11(14)10(8)13)6-2-1-3-9(6)15/h4-6,9,15H,1-3H2.
What are the key properties of 2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol?
2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol has a molecular weight of 293.56 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol is sourced from PubChem (CID 106763335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).