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

C11H11BrClFO — CID 106761220

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol
SMILESOC1(c2ccc(Br)c(Cl)c2F)CCCC1
InChIInChI=1S/C11H11BrClFO/c12-8-4-3-7(10(14)9(8)13)11(15)5-1-2-6-11/h3-4,15H,1-2,5-6H2
InChIKeyNXKPMOJTRNMCMY-UHFFFAOYSA-N
MW293.56 g/mol
LogP4.00
Rot. Bonds1

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

1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol (PubChem CID 106761220) has the molecular formula C11H11BrClFO and a molecular weight of 293.56 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol
PubChem CID106761220
Molecular FormulaC11H11BrClFO
Molecular Weight293.56 g/mol
Exact Mass291.97
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol
SMILESOC1(c2ccc(Br)c(Cl)c2F)CCCC1
InChIInChI=1S/C11H11BrClFO/c12-8-4-3-7(10(14)9(8)13)11(15)5-1-2-6-11/h3-4,15H,1-2,5-6H2
InChIKeyNXKPMOJTRNMCMY-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
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

2-(4-Bromo-2-chlorophenyl)propan-2-ol
CID 58764285
2-(2-Bromo-5-chlorophenyl)propan-2-ol
CID 84707039
1-(4-Bromo-3-chlorophenyl)cyclopropan-1-ol
CID 81307393
(1R)-1-(4-bromo-3-chlorophenyl)ethan-1-ol
CID 165657361
(1S)-1-(4-bromo-3-chlorophenyl)ethan-1-ol
CID 165781790
2-(4-Bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)propan-2-ol
CID 68396021
1-(4-Bromo-2-fluorophenyl)cyclopentan-1-ol
CID 68721996
2-(3-Bromo-6-chloro-2-fluorophenyl)propan-2-ol
CID 68808608
1-(4-Bromo-3-chlorophenyl)-2,2,2-trifluoroethan-1-ol
CID 108396159
1-(2-Bromo-3-chloro-6-fluorophenyl)ethanol
CID 117386867
2-(4-Bromo-3-chloro-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 121303141
2-(4-Bromo-3-chlorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 121303180

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol (CID 106761220) is 1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol is OC1(c2ccc(Br)c(Cl)c2F)CCCC1.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol?
The InChIKey is NXKPMOJTRNMCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClFO/c12-8-4-3-7(10(14)9(8)13)11(15)5-1-2-6-11/h3-4,15H,1-2,5-6H2.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol?
1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol has a molecular weight of 293.56 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol is sourced from PubChem (CID 106761220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).