ethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane

C17H31F — CID 142361482

IUPACethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane
SMILESCC.CCCCC(C)C.Cc1ccc(F)c(C)c1
InChIInChI=1S/C8H9F.C7H16.C2H6/c1-6-3-4-8(9)7(2)5-6;1-4-5-6-7(2)3;1-2/h3-5H,1-2H3;7H,4-6H2,1-3H3;1-2H3
InChIKeyJIEUIZGELIGPPJ-UHFFFAOYSA-N
MW254.43 g/mol
LogP6.30
Rot. Bonds3

About ethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane

ethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane (PubChem CID 142361482) has the molecular formula C17H31F and a molecular weight of 254.43 g/mol. Its IUPAC name is ethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane.

Molecular Properties

Compound Nameethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane
PubChem CID142361482
Molecular FormulaC17H31F
Molecular Weight254.43 g/mol
Exact Mass254.24
IUPAC Nameethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane
SMILESCC.CCCCC(C)C.Cc1ccc(F)c(C)c1
InChIInChI=1S/C8H9F.C7H16.C2H6/c1-6-3-4-8(9)7(2)5-6;1-4-5-6-7(2)3;1-2/h3-5H,1-2H3;7H,4-6H2,1-3H3;1-2H3
InChIKeyJIEUIZGELIGPPJ-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.43
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane with MolForge

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

Launch Full Analysis

Related Compounds

ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
1-fluoro-4-methyl-2-(4-methylpentoxy)benzene
CID 83168254
2-methylhexane;4-methylphenol
CID 144980508
1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161130
1-(2-fluoro-4-methylphenyl)pentan-1-ol
CID 115783255
ethane;1-fluoro-2,4-dimethylbenzene;formamide
CID 143812517
2-fluoro-1,4-dimethylbenzene;bis(nonane)
CID 143987706
2-bromo-1-fluoro-4-methylbenzene;ethane;nonane
CID 143643780
1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine
CID 115837280
1-(4-fluoro-3-methylphenyl)hept-1-yn-3-ol
CID 146003506
ethane;2-methylhexane;propane
CID 144516512
ethane;hexane;2-methylhexane
CID 142051007

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane?
The IUPAC name of ethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane (CID 142361482) is ethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane.
What is the SMILES notation for ethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane?
The canonical SMILES for ethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane is CC.CCCCC(C)C.Cc1ccc(F)c(C)c1.
What is the InChIKey of ethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane?
The InChIKey is JIEUIZGELIGPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.C7H16.C2H6/c1-6-3-4-8(9)7(2)5-6;1-4-5-6-7(2)3;1-2/h3-5H,1-2H3;7H,4-6H2,1-3H3;1-2H3.
What are the key properties of ethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane?
ethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane has a molecular weight of 254.43 g/mol, XLogP of 6.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane is sourced from PubChem (CID 142361482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).