2,4-difluoro-1-methylbenzene;ethane;methylcyclohexane

C16H26F2 — CID 142010079

IUPAC2,4-difluoro-1-methylbenzene;ethane;methylcyclohexane
SMILESCC.CC1CCCCC1.Cc1ccc(F)cc1F
InChIInChI=1S/C7H6F2.C7H14.C2H6/c1-5-2-3-6(8)4-7(5)9;1-7-5-3-2-4-6-7;1-2/h2-4H,1H3;7H,2-6H2,1H3;1-2H3
InChIKeyLLXVUJNZGXKMFZ-UHFFFAOYSA-N
MW256.38 g/mol
LogP5.89
Rot. Bonds

About 2,4-difluoro-1-methylbenzene;ethane;methylcyclohexane

2,4-difluoro-1-methylbenzene;ethane;methylcyclohexane (PubChem CID 142010079) has the molecular formula C16H26F2 and a molecular weight of 256.38 g/mol. Its IUPAC name is 2,4-difluoro-1-methylbenzene;ethane;methylcyclohexane.

Molecular Properties

Compound Name2,4-difluoro-1-methylbenzene;ethane;methylcyclohexane
PubChem CID142010079
Molecular FormulaC16H26F2
Molecular Weight256.38 g/mol
Exact Mass256.20
IUPAC Name2,4-difluoro-1-methylbenzene;ethane;methylcyclohexane
SMILESCC.CC1CCCCC1.Cc1ccc(F)cc1F
InChIInChI=1S/C7H6F2.C7H14.C2H6/c1-5-2-3-6(8)4-7(5)9;1-7-5-3-2-4-6-7;1-2/h2-4H,1H3;7H,2-6H2,1H3;1-2H3
InChIKeyLLXVUJNZGXKMFZ-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.38
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1S,2R)-1-fluoro-2-methylcyclopropane;2,4-difluoro-1-methylbenzene;ethane;methylcyclopropane
CID 158120114
2,4-difluoro-1-methylbenzene;hydrobromide
CID 174767043
1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);methane
CID 161294963
1-(2,3-difluoro-4-methylphenyl)-2,3-difluoro-4-methylbenzene;methylcyclohexane
CID 144602990
bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
CID 159175057
cyclohexylcyclohexane;2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 91598886
cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,4-xylene)
CID 159241517
2,3-difluoro-1,4-dimethylbenzene;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene
CID 159953163
4-(cyclohexylmethyl)-2-fluoro-1-methylbenzene;1-ethyl-4-methylcyclohexane
CID 90733445
1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine
CID 107128227
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-methylbenzene;ethane;methylcyclohexane?
The IUPAC name of 2,4-difluoro-1-methylbenzene;ethane;methylcyclohexane (CID 142010079) is 2,4-difluoro-1-methylbenzene;ethane;methylcyclohexane.
What is the SMILES notation for 2,4-difluoro-1-methylbenzene;ethane;methylcyclohexane?
The canonical SMILES for 2,4-difluoro-1-methylbenzene;ethane;methylcyclohexane is CC.CC1CCCCC1.Cc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-1-methylbenzene;ethane;methylcyclohexane?
The InChIKey is LLXVUJNZGXKMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2.C7H14.C2H6/c1-5-2-3-6(8)4-7(5)9;1-7-5-3-2-4-6-7;1-2/h2-4H,1H3;7H,2-6H2,1H3;1-2H3.
What are the key properties of 2,4-difluoro-1-methylbenzene;ethane;methylcyclohexane?
2,4-difluoro-1-methylbenzene;ethane;methylcyclohexane has a molecular weight of 256.38 g/mol, XLogP of 5.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-methylbenzene;ethane;methylcyclohexane is sourced from PubChem (CID 142010079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).