1-bromo-4-methylidene-2-(trifluoromethyl)cyclohexane

C8H10BrF3 — CID 91338372

IUPAC1-bromo-4-methylidene-2-(trifluoromethyl)cyclohexane
SMILESC=C1CCC(Br)C(C(F)(F)F)C1
InChIInChI=1S/C8H10BrF3/c1-5-2-3-7(9)6(4-5)8(10,11)12/h6-7H,1-4H2
InChIKeySSARQDAGDMFGPA-UHFFFAOYSA-N
MW243.07 g/mol
LogP3.67
Rot. Bonds

About 1-bromo-4-methylidene-2-(trifluoromethyl)cyclohexane

1-bromo-4-methylidene-2-(trifluoromethyl)cyclohexane (PubChem CID 91338372) has the molecular formula C8H10BrF3 and a molecular weight of 243.07 g/mol. Its IUPAC name is 1-bromo-4-methylidene-2-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-bromo-4-methylidene-2-(trifluoromethyl)cyclohexane
PubChem CID91338372
Molecular FormulaC8H10BrF3
Molecular Weight243.07 g/mol
Exact Mass241.99
IUPAC Name1-bromo-4-methylidene-2-(trifluoromethyl)cyclohexane
SMILESC=C1CCC(Br)C(C(F)(F)F)C1
InChIInChI=1S/C8H10BrF3/c1-5-2-3-7(9)6(4-5)8(10,11)12/h6-7H,1-4H2
InChIKeySSARQDAGDMFGPA-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.07
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-methylidene-2-(trifluoromethyl)cyclohexane
CID 90946116
1-bromo-2-chloro-4-methylidenecyclohexane
CID 91109403
1-(3-methylidenecyclopentyl)-4-(trifluoromethyl)benzene
CID 23635560
6,7-dibromo-3-methylidene-2,4,4a,8a-tetrahydro-1H-naphthalene
CID 89018164
(1R)-1-methyl-3-methylidenecyclopentane
CID 58904772
trans-(1R,2R)-1-bromo-2-[bromo(difluoro)methyl]cyclopentane
CID 14387267
1-methylidene-2-(trifluoromethyl)cyclopentane
CID 18520883
2-isocyano-1-methylidene-3-(trifluoromethyl)cyclohexane
CID 90886411
5-methylidene-2-prop-1-en-2-ylcyclohexan-1-ol
CID 14867013
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methylidenecyclopentane-1-carboxamide
CID 59888732
3-methylidenecyclopentane-1-carboxylic acid
CID 18614353
2-fluoro-4-methylidenecyclohexane-1-carboxylic acid
CID 91026013

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methylidene-2-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-bromo-4-methylidene-2-(trifluoromethyl)cyclohexane (CID 91338372) is 1-bromo-4-methylidene-2-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-bromo-4-methylidene-2-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-bromo-4-methylidene-2-(trifluoromethyl)cyclohexane is C=C1CCC(Br)C(C(F)(F)F)C1.
What is the InChIKey of 1-bromo-4-methylidene-2-(trifluoromethyl)cyclohexane?
The InChIKey is SSARQDAGDMFGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF3/c1-5-2-3-7(9)6(4-5)8(10,11)12/h6-7H,1-4H2.
What are the key properties of 1-bromo-4-methylidene-2-(trifluoromethyl)cyclohexane?
1-bromo-4-methylidene-2-(trifluoromethyl)cyclohexane has a molecular weight of 243.07 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methylidene-2-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 91338372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).