1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene

C15H23F — CID 143126796

IUPAC1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene
SMILESCC1CCC(C)CC1.Cc1cccc(F)c1
InChIInChI=1S/C8H16.C7H7F/c1-7-3-5-8(2)6-4-7;1-6-3-2-4-7(8)5-6/h7-8H,3-6H2,1-2H3;2-5H,1H3
InChIKeyLCFAYEWZOMOZQM-UHFFFAOYSA-N
MW222.35 g/mol
LogP4.97
Rot. Bonds

About 1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene

1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene (PubChem CID 143126796) has the molecular formula C15H23F and a molecular weight of 222.35 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene
PubChem CID143126796
Molecular FormulaC15H23F
Molecular Weight222.35 g/mol
Exact Mass222.18
IUPAC Name1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene
SMILESCC1CCC(C)CC1.Cc1cccc(F)c1
InChIInChI=1S/C8H16.C7H7F/c1-7-3-5-8(2)6-4-7;1-6-3-2-4-7(8)5-6/h7-8H,3-6H2,1-2H3;2-5H,1H3
InChIKeyLCFAYEWZOMOZQM-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;methylcyclopropane;1,3-xylene
CID 142338532
ethane;1-fluoro-3-methylbenzene
CID 123790085
sodium;1-fluoro-3-methylbenzene;hydride
CID 174603883
methylcyclopentane;1,3-xylene
CID 142361462
benzene;cyclohexane;fluorobenzene;1-fluoro-3-methylbenzene;1-fluoro-3-methylcyclohexane;methylcyclohexane
CID 161202897
cyclopropanecarboxylic acid;1-fluoro-3-methylbenzene
CID 144506974
1-fluoro-3-(4-methylcyclohexyl)oxybenzene
CID 64764366
1,3-difluoro-2-methylbenzene;1-fluoro-3-methylbenzene
CID 143240223
ethane;1-fluoro-3-methylbenzene;tetrachloromethane
CID 91543294
2-fluoro-4-methyl-1-(4-methylcyclohexyl)benzene
CID 126578544
acetylene;1-fluoro-3-methylbenzene;2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 144622037
1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);methane
CID 161294963

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene?
The IUPAC name of 1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene (CID 143126796) is 1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene.
What is the SMILES notation for 1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene?
The canonical SMILES for 1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene is CC1CCC(C)CC1.Cc1cccc(F)c1.
What is the InChIKey of 1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene?
The InChIKey is LCFAYEWZOMOZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C7H7F/c1-7-3-5-8(2)6-4-7;1-6-3-2-4-7(8)5-6/h7-8H,3-6H2,1-2H3;2-5H,1H3.
What are the key properties of 1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene?
1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene has a molecular weight of 222.35 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexane;1-fluoro-3-methylbenzene is sourced from PubChem (CID 143126796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).