4-bromo-2-(1-cyclopropylbut-1-enyl)-1-fluorocyclohexane

C13H20BrF — CID 167170171

IUPAC4-bromo-2-(1-cyclopropylbut-1-enyl)-1-fluorocyclohexane
SMILESCCC=C(C1CC1)C1CC(Br)CCC1F
InChIInChI=1S/C13H20BrF/c1-2-3-11(9-4-5-9)12-8-10(14)6-7-13(12)15/h3,9-10,12-13H,2,4-8H2,1H3
InChIKeyOMYZFGIZRRDZCV-UHFFFAOYSA-N
MW275.21 g/mol
LogP4.63
Rot. Bonds3

About 4-bromo-2-(1-cyclopropylbut-1-enyl)-1-fluorocyclohexane

4-bromo-2-(1-cyclopropylbut-1-enyl)-1-fluorocyclohexane (PubChem CID 167170171) has the molecular formula C13H20BrF and a molecular weight of 275.21 g/mol. Its IUPAC name is 4-bromo-2-(1-cyclopropylbut-1-enyl)-1-fluorocyclohexane.

Molecular Properties

Compound Name4-bromo-2-(1-cyclopropylbut-1-enyl)-1-fluorocyclohexane
PubChem CID167170171
Molecular FormulaC13H20BrF
Molecular Weight275.21 g/mol
Exact Mass274.07
IUPAC Name4-bromo-2-(1-cyclopropylbut-1-enyl)-1-fluorocyclohexane
SMILESCCC=C(C1CC1)C1CC(Br)CCC1F
InChIInChI=1S/C13H20BrF/c1-2-3-11(9-4-5-9)12-8-10(14)6-7-13(12)15/h3,9-10,12-13H,2,4-8H2,1H3
InChIKeyOMYZFGIZRRDZCV-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 54.63
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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-cyclopropylbut-1-enyl)-1-fluorocyclohexane?
The IUPAC name of 4-bromo-2-(1-cyclopropylbut-1-enyl)-1-fluorocyclohexane (CID 167170171) is 4-bromo-2-(1-cyclopropylbut-1-enyl)-1-fluorocyclohexane.
What is the SMILES notation for 4-bromo-2-(1-cyclopropylbut-1-enyl)-1-fluorocyclohexane?
The canonical SMILES for 4-bromo-2-(1-cyclopropylbut-1-enyl)-1-fluorocyclohexane is CCC=C(C1CC1)C1CC(Br)CCC1F.
What is the InChIKey of 4-bromo-2-(1-cyclopropylbut-1-enyl)-1-fluorocyclohexane?
The InChIKey is OMYZFGIZRRDZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrF/c1-2-3-11(9-4-5-9)12-8-10(14)6-7-13(12)15/h3,9-10,12-13H,2,4-8H2,1H3.
What are the key properties of 4-bromo-2-(1-cyclopropylbut-1-enyl)-1-fluorocyclohexane?
4-bromo-2-(1-cyclopropylbut-1-enyl)-1-fluorocyclohexane has a molecular weight of 275.21 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-cyclopropylbut-1-enyl)-1-fluorocyclohexane is sourced from PubChem (CID 167170171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).