1-fluoro-4-methylcyclohexene

C7H11F — CID 23443585

IUPAC1-fluoro-4-methylcyclohexene
SMILESCC1CC=C(F)CC1
InChIInChI=1S/C7H11F/c1-6-2-4-7(8)5-3-6/h4,6H,2-3,5H2,1H3
InChIKeyBBTYFFGJWGMQSK-UHFFFAOYSA-N
MW114.16 g/mol
LogP2.66
Rot. Bonds

About 1-fluoro-4-methylcyclohexene

1-fluoro-4-methylcyclohexene (PubChem CID 23443585) has the molecular formula C7H11F and a molecular weight of 114.16 g/mol. Its IUPAC name is 1-fluoro-4-methylcyclohexene.

Molecular Properties

Compound Name1-fluoro-4-methylcyclohexene
PubChem CID23443585
Molecular FormulaC7H11F
Molecular Weight114.16 g/mol
Exact Mass114.08
IUPAC Name1-fluoro-4-methylcyclohexene
SMILESCC1CC=C(F)CC1
InChIInChI=1S/C7H11F/c1-6-2-4-7(8)5-3-6/h4,6H,2-3,5H2,1H3
InChIKeyBBTYFFGJWGMQSK-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.16
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methylcyclohexene?
The IUPAC name of 1-fluoro-4-methylcyclohexene (CID 23443585) is 1-fluoro-4-methylcyclohexene.
What is the SMILES notation for 1-fluoro-4-methylcyclohexene?
The canonical SMILES for 1-fluoro-4-methylcyclohexene is CC1CC=C(F)CC1.
What is the InChIKey of 1-fluoro-4-methylcyclohexene?
The InChIKey is BBTYFFGJWGMQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F/c1-6-2-4-7(8)5-3-6/h4,6H,2-3,5H2,1H3.
What are the key properties of 1-fluoro-4-methylcyclohexene?
1-fluoro-4-methylcyclohexene has a molecular weight of 114.16 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylcyclohexene is sourced from PubChem (CID 23443585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).