1-bromo-4-(4,4-difluorocyclohexyl)benzene

C12H13BrF2 — CID 115050905

IUPAC1-bromo-4-(4,4-difluorocyclohexyl)benzene
SMILESFC1(F)CCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H13BrF2/c13-11-3-1-9(2-4-11)10-5-7-12(14,15)8-6-10/h1-4,10H,5-8H2
InChIKeyDGWJMXYWLWPYKC-UHFFFAOYSA-N
MW275.14 g/mol
LogP4.74
Rot. Bonds1

About 1-bromo-4-(4,4-difluorocyclohexyl)benzene

1-bromo-4-(4,4-difluorocyclohexyl)benzene (PubChem CID 115050905) has the molecular formula C12H13BrF2 and a molecular weight of 275.14 g/mol. Its IUPAC name is 1-bromo-4-(4,4-difluorocyclohexyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(4,4-difluorocyclohexyl)benzene
PubChem CID115050905
Molecular FormulaC12H13BrF2
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name1-bromo-4-(4,4-difluorocyclohexyl)benzene
SMILESFC1(F)CCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H13BrF2/c13-11-3-1-9(2-4-11)10-5-7-12(14,15)8-6-10/h1-4,10H,5-8H2
InChIKeyDGWJMXYWLWPYKC-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4,4-difluorocyclohexyl)benzene?
The IUPAC name of 1-bromo-4-(4,4-difluorocyclohexyl)benzene (CID 115050905) is 1-bromo-4-(4,4-difluorocyclohexyl)benzene.
What is the SMILES notation for 1-bromo-4-(4,4-difluorocyclohexyl)benzene?
The canonical SMILES for 1-bromo-4-(4,4-difluorocyclohexyl)benzene is FC1(F)CCC(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-bromo-4-(4,4-difluorocyclohexyl)benzene?
The InChIKey is DGWJMXYWLWPYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2/c13-11-3-1-9(2-4-11)10-5-7-12(14,15)8-6-10/h1-4,10H,5-8H2.
What are the key properties of 1-bromo-4-(4,4-difluorocyclohexyl)benzene?
1-bromo-4-(4,4-difluorocyclohexyl)benzene has a molecular weight of 275.14 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4,4-difluorocyclohexyl)benzene is sourced from PubChem (CID 115050905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).