1-bromo-4-(trifluoromethyl)cyclohexene

C7H8BrF3 — CID 144910087

IUPAC1-bromo-4-(trifluoromethyl)cyclohexene
SMILESFC(F)(F)C1CC=C(Br)CC1
InChIInChI=1S/C7H8BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h3,5H,1-2,4H2
InChIKeyLSLUHHIKCROGQB-UHFFFAOYSA-N
MW229.04 g/mol
LogP3.63
Rot. Bonds

About 1-bromo-4-(trifluoromethyl)cyclohexene

1-bromo-4-(trifluoromethyl)cyclohexene (PubChem CID 144910087) has the molecular formula C7H8BrF3 and a molecular weight of 229.04 g/mol. Its IUPAC name is 1-bromo-4-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name1-bromo-4-(trifluoromethyl)cyclohexene
PubChem CID144910087
Molecular FormulaC7H8BrF3
Molecular Weight229.04 g/mol
Exact Mass227.98
IUPAC Name1-bromo-4-(trifluoromethyl)cyclohexene
SMILESFC(F)(F)C1CC=C(Br)CC1
InChIInChI=1S/C7H8BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h3,5H,1-2,4H2
InChIKeyLSLUHHIKCROGQB-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.04
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(trifluoromethyl)cyclohexene?
The IUPAC name of 1-bromo-4-(trifluoromethyl)cyclohexene (CID 144910087) is 1-bromo-4-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 1-bromo-4-(trifluoromethyl)cyclohexene?
The canonical SMILES for 1-bromo-4-(trifluoromethyl)cyclohexene is FC(F)(F)C1CC=C(Br)CC1.
What is the InChIKey of 1-bromo-4-(trifluoromethyl)cyclohexene?
The InChIKey is LSLUHHIKCROGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h3,5H,1-2,4H2.
What are the key properties of 1-bromo-4-(trifluoromethyl)cyclohexene?
1-bromo-4-(trifluoromethyl)cyclohexene has a molecular weight of 229.04 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 144910087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).