1-bromo-2-chloro-4-methylidenecyclohexane

C7H10BrCl — CID 91109403

IUPAC1-bromo-2-chloro-4-methylidenecyclohexane
SMILESC=C1CCC(Br)C(Cl)C1
InChIInChI=1S/C7H10BrCl/c1-5-2-3-6(8)7(9)4-5/h6-7H,1-4H2
InChIKeyJVLBLWMFTSJDCW-UHFFFAOYSA-N
MW209.51 g/mol
LogP3.10
Rot. Bonds

About 1-bromo-2-chloro-4-methylidenecyclohexane

1-bromo-2-chloro-4-methylidenecyclohexane (PubChem CID 91109403) has the molecular formula C7H10BrCl and a molecular weight of 209.51 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-methylidenecyclohexane.

Molecular Properties

Compound Name1-bromo-2-chloro-4-methylidenecyclohexane
PubChem CID91109403
Molecular FormulaC7H10BrCl
Molecular Weight209.51 g/mol
Exact Mass207.97
IUPAC Name1-bromo-2-chloro-4-methylidenecyclohexane
SMILESC=C1CCC(Br)C(Cl)C1
InChIInChI=1S/C7H10BrCl/c1-5-2-3-6(8)7(9)4-5/h6-7H,1-4H2
InChIKeyJVLBLWMFTSJDCW-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.51
LogP ≤ 53.10
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-bromo-4-methylidene-2-(trifluoromethyl)cyclohexane
CID 91338372
1-chloro-3-methylidenecyclohexane
CID 23528892
4-chloro-6-methylidene-2,3,4,4a,5,7,8,8a-octahydro-1H-quinazoline
CID 91019306
(1R)-1-methyl-3-methylidenecyclopentane
CID 58904772
N-methyl-3-methylidenecyclopentan-1-amine
CID 118465738
6,7-dibromo-3-methylidene-2,4,4a,8a-tetrahydro-1H-naphthalene
CID 89018164
5-methylidene-1,2,3,3a,4,6,7,7a-octahydroindazole
CID 91292382
3-methylidenecyclopentane-1-carboxylic acid
CID 18614353
1,5-dibromo-2,6-dichlorocyclododecane
CID 19912716
1-(3-methylidenecyclopentyl)ethanone
CID 556899
[(1S)-3-methylidenecyclohexyl]methanamine
CID 101199300
3-methylidenecyclohexan-1-amine
CID 67574918

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-4-methylidenecyclohexane?
The IUPAC name of 1-bromo-2-chloro-4-methylidenecyclohexane (CID 91109403) is 1-bromo-2-chloro-4-methylidenecyclohexane.
What is the SMILES notation for 1-bromo-2-chloro-4-methylidenecyclohexane?
The canonical SMILES for 1-bromo-2-chloro-4-methylidenecyclohexane is C=C1CCC(Br)C(Cl)C1.
What is the InChIKey of 1-bromo-2-chloro-4-methylidenecyclohexane?
The InChIKey is JVLBLWMFTSJDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrCl/c1-5-2-3-6(8)7(9)4-5/h6-7H,1-4H2.
What are the key properties of 1-bromo-2-chloro-4-methylidenecyclohexane?
1-bromo-2-chloro-4-methylidenecyclohexane has a molecular weight of 209.51 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-4-methylidenecyclohexane is sourced from PubChem (CID 91109403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).