4-[4-(bromomethyl)cyclohexyl]-1-fluorocyclohexene

C13H20BrF — CID 18979658

IUPAC4-[4-(bromomethyl)cyclohexyl]-1-fluorocyclohexene
SMILESFC1=CCC(C2CCC(CBr)CC2)CC1
InChIInChI=1S/C13H20BrF/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h7,10-12H,1-6,8-9H2
InChIKeyODHCVYASEAXQHP-UHFFFAOYSA-N
MW275.20 g/mol
LogP4.84
Rot. Bonds2

About 4-[4-(bromomethyl)cyclohexyl]-1-fluorocyclohexene

4-[4-(bromomethyl)cyclohexyl]-1-fluorocyclohexene (PubChem CID 18979658) has the molecular formula C13H20BrF and a molecular weight of 275.20 g/mol. Its IUPAC name is 4-[4-(bromomethyl)cyclohexyl]-1-fluorocyclohexene.

Molecular Properties

Compound Name4-[4-(bromomethyl)cyclohexyl]-1-fluorocyclohexene
PubChem CID18979658
Molecular FormulaC13H20BrF
Molecular Weight275.20 g/mol
Exact Mass274.07
IUPAC Name4-[4-(bromomethyl)cyclohexyl]-1-fluorocyclohexene
SMILESFC1=CCC(C2CCC(CBr)CC2)CC1
InChIInChI=1S/C13H20BrF/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h7,10-12H,1-6,8-9H2
InChIKeyODHCVYASEAXQHP-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(bromomethyl)cyclohexyl]-1-fluorocyclohexene?
The IUPAC name of 4-[4-(bromomethyl)cyclohexyl]-1-fluorocyclohexene (CID 18979658) is 4-[4-(bromomethyl)cyclohexyl]-1-fluorocyclohexene.
What is the SMILES notation for 4-[4-(bromomethyl)cyclohexyl]-1-fluorocyclohexene?
The canonical SMILES for 4-[4-(bromomethyl)cyclohexyl]-1-fluorocyclohexene is FC1=CCC(C2CCC(CBr)CC2)CC1.
What is the InChIKey of 4-[4-(bromomethyl)cyclohexyl]-1-fluorocyclohexene?
The InChIKey is ODHCVYASEAXQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrF/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h7,10-12H,1-6,8-9H2.
What are the key properties of 4-[4-(bromomethyl)cyclohexyl]-1-fluorocyclohexene?
4-[4-(bromomethyl)cyclohexyl]-1-fluorocyclohexene has a molecular weight of 275.20 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(bromomethyl)cyclohexyl]-1-fluorocyclohexene is sourced from PubChem (CID 18979658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).