1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexene

C14H23FO — CID 21337851

IUPAC1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexene
SMILESCC1CCC(C2CC=C(OCF)CC2)CC1
InChIInChI=1S/C14H23FO/c1-11-2-4-12(5-3-11)13-6-8-14(9-7-13)16-10-15/h8,11-13H,2-7,9-10H2,1H3
InChIKeyHLGKGDIYCRWFQD-UHFFFAOYSA-N
MW226.33 g/mol
LogP4.44
Rot. Bonds3

About 1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexene

1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexene (PubChem CID 21337851) has the molecular formula C14H23FO and a molecular weight of 226.33 g/mol. Its IUPAC name is 1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexene.

Molecular Properties

Compound Name1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexene
PubChem CID21337851
Molecular FormulaC14H23FO
Molecular Weight226.33 g/mol
Exact Mass226.17
IUPAC Name1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexene
SMILESCC1CCC(C2CC=C(OCF)CC2)CC1
InChIInChI=1S/C14H23FO/c1-11-2-4-12(5-3-11)13-6-8-14(9-7-13)16-10-15/h8,11-13H,2-7,9-10H2,1H3
InChIKeyHLGKGDIYCRWFQD-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexene?
The IUPAC name of 1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexene (CID 21337851) is 1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexene.
What is the SMILES notation for 1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexene?
The canonical SMILES for 1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexene is CC1CCC(C2CC=C(OCF)CC2)CC1.
What is the InChIKey of 1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexene?
The InChIKey is HLGKGDIYCRWFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FO/c1-11-2-4-12(5-3-11)13-6-8-14(9-7-13)16-10-15/h8,11-13H,2-7,9-10H2,1H3.
What are the key properties of 1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexene?
1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexene has a molecular weight of 226.33 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexene is sourced from PubChem (CID 21337851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).