4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol

C12H15BrFNO — CID 106593664

IUPAC4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(Br)ccc2F)CC1
InChIInChI=1S/C12H15BrFNO/c13-8-1-6-11(14)12(7-8)15-9-2-4-10(16)5-3-9/h1,6-7,9-10,15-16H,2-5H2
InChIKeyUWQKCMWVYKMABY-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.30
Rot. Bonds2

About 4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol

4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol (PubChem CID 106593664) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol
PubChem CID106593664
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol
SMILESOC1CCC(Nc2cc(Br)ccc2F)CC1
InChIInChI=1S/C12H15BrFNO/c13-8-1-6-11(14)12(7-8)15-9-2-4-10(16)5-3-9/h1,6-7,9-10,15-16H,2-5H2
InChIKeyUWQKCMWVYKMABY-UHFFFAOYSA-N
XLogP3.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-bromo-2-fluoroanilino)cyclohexane-1-carbonitrile
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4-(2-fluoro-5-methoxyanilino)cyclohexan-1-ol
CID 106594816
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4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
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3-bromo-N-cyclopropyl-2,4-difluoroaniline
CID 101495757
4-(2-amino-4-chloroanilino)cyclohexan-1-ol
CID 18509767
N-(4-bromo-2-fluorophenyl)piperidin-4-amine
CID 61016241
N-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine
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CID 43555384

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol?
The IUPAC name of 4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol (CID 106593664) is 4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol is OC1CCC(Nc2cc(Br)ccc2F)CC1.
What is the InChIKey of 4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol?
The InChIKey is UWQKCMWVYKMABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-8-1-6-11(14)12(7-8)15-9-2-4-10(16)5-3-9/h1,6-7,9-10,15-16H,2-5H2.
What are the key properties of 4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol?
4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol has a molecular weight of 288.16 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol is sourced from PubChem (CID 106593664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).