4-fluoro-1-methyl-2-(6-methylcyclohexen-1-yl)benzene

C14H17F — CID 175322734

IUPAC4-fluoro-1-methyl-2-(6-methylcyclohexen-1-yl)benzene
SMILESCc1ccc(F)cc1C1=CCCCC1C
InChIInChI=1S/C14H17F/c1-10-5-3-4-6-13(10)14-9-12(15)8-7-11(14)2/h6-10H,3-5H2,1-2H3
InChIKeyQGEPQMYREXOENT-UHFFFAOYSA-N
MW204.29 g/mol
LogP4.34
Rot. Bonds1

About 4-fluoro-1-methyl-2-(6-methylcyclohexen-1-yl)benzene

4-fluoro-1-methyl-2-(6-methylcyclohexen-1-yl)benzene (PubChem CID 175322734) has the molecular formula C14H17F and a molecular weight of 204.29 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2-(6-methylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name4-fluoro-1-methyl-2-(6-methylcyclohexen-1-yl)benzene
PubChem CID175322734
Molecular FormulaC14H17F
Molecular Weight204.29 g/mol
Exact Mass204.13
IUPAC Name4-fluoro-1-methyl-2-(6-methylcyclohexen-1-yl)benzene
SMILESCc1ccc(F)cc1C1=CCCCC1C
InChIInChI=1S/C14H17F/c1-10-5-3-4-6-13(10)14-9-12(15)8-7-11(14)2/h6-10H,3-5H2,1-2H3
InChIKeyQGEPQMYREXOENT-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(5-fluoro-2-methylphenyl)cyclohept-2-en-1-amine
CID 107383087
2,4-difluoro-1-methylbenzene;ethane;methylcyclohexane
CID 142010079
4-fluoro-1-methyl-2-phenylbenzene
CID 21350138
ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
CID 143449254
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540
2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
CID 129059245
2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene
CID 91665782
4-cyclopropyl-2-(5-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739774
4-fluoro-2-(2-fluorophenyl)-1-methylbenzene
CID 46313938
2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-6-methylpyridine
CID 123665063
[4-(5-fluoro-2-methylphenyl)phenyl]methanamine
CID 61026392
4-chloro-2-(5-fluoro-2-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 62387415

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-2-(6-methylcyclohexen-1-yl)benzene?
The IUPAC name of 4-fluoro-1-methyl-2-(6-methylcyclohexen-1-yl)benzene (CID 175322734) is 4-fluoro-1-methyl-2-(6-methylcyclohexen-1-yl)benzene.
What is the SMILES notation for 4-fluoro-1-methyl-2-(6-methylcyclohexen-1-yl)benzene?
The canonical SMILES for 4-fluoro-1-methyl-2-(6-methylcyclohexen-1-yl)benzene is Cc1ccc(F)cc1C1=CCCCC1C.
What is the InChIKey of 4-fluoro-1-methyl-2-(6-methylcyclohexen-1-yl)benzene?
The InChIKey is QGEPQMYREXOENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F/c1-10-5-3-4-6-13(10)14-9-12(15)8-7-11(14)2/h6-10H,3-5H2,1-2H3.
What are the key properties of 4-fluoro-1-methyl-2-(6-methylcyclohexen-1-yl)benzene?
4-fluoro-1-methyl-2-(6-methylcyclohexen-1-yl)benzene has a molecular weight of 204.29 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2-(6-methylcyclohexen-1-yl)benzene is sourced from PubChem (CID 175322734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).