ethane;fluoromethane;1,2,4-trimethylbenzene

C14H27F — CID 143343895

IUPACethane;fluoromethane;1,2,4-trimethylbenzene
SMILESCC.CC.CF.Cc1ccc(C)c(C)c1
InChIInChI=1S/C9H12.2C2H6.CH3F/c1-7-4-5-8(2)9(3)6-7;3*1-2/h4-6H,1-3H3;2*1-2H3;1H3
InChIKeyYTKPRLJTLQIXEV-UHFFFAOYSA-N
MW214.37 g/mol
LogP5.25
Rot. Bonds

About ethane;fluoromethane;1,2,4-trimethylbenzene

ethane;fluoromethane;1,2,4-trimethylbenzene (PubChem CID 143343895) has the molecular formula C14H27F and a molecular weight of 214.37 g/mol. Its IUPAC name is ethane;fluoromethane;1,2,4-trimethylbenzene.

Molecular Properties

Compound Nameethane;fluoromethane;1,2,4-trimethylbenzene
PubChem CID143343895
Molecular FormulaC14H27F
Molecular Weight214.37 g/mol
Exact Mass214.21
IUPAC Nameethane;fluoromethane;1,2,4-trimethylbenzene
SMILESCC.CC.CF.Cc1ccc(C)c(C)c1
InChIInChI=1S/C9H12.2C2H6.CH3F/c1-7-4-5-8(2)9(3)6-7;3*1-2/h4-6H,1-3H3;2*1-2H3;1H3
InChIKeyYTKPRLJTLQIXEV-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.37
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,4-trimethylbenzene
CID 7247
ethane;ethene;methane;1,2,4-trimethylbenzene
CID 144526220
azane;1,2,4-trimethylbenzene;hydrochloride
CID 174988554
ethane;propane;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 144816879
butane;ethane;1,2,4-trimethylbenzene
CID 143613706
1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene
CID 143200247
formonitrile;1,2,4-trimethylbenzene
CID 90728107
1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 157447220
ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene
CID 144914268
ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene
CID 143291737
methyl formate;1,2,4-trimethylbenzene
CID 143881724

Frequently Asked Questions

What is the IUPAC name of ethane;fluoromethane;1,2,4-trimethylbenzene?
The IUPAC name of ethane;fluoromethane;1,2,4-trimethylbenzene (CID 143343895) is ethane;fluoromethane;1,2,4-trimethylbenzene.
What is the SMILES notation for ethane;fluoromethane;1,2,4-trimethylbenzene?
The canonical SMILES for ethane;fluoromethane;1,2,4-trimethylbenzene is CC.CC.CF.Cc1ccc(C)c(C)c1.
What is the InChIKey of ethane;fluoromethane;1,2,4-trimethylbenzene?
The InChIKey is YTKPRLJTLQIXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.2C2H6.CH3F/c1-7-4-5-8(2)9(3)6-7;3*1-2/h4-6H,1-3H3;2*1-2H3;1H3.
What are the key properties of ethane;fluoromethane;1,2,4-trimethylbenzene?
ethane;fluoromethane;1,2,4-trimethylbenzene has a molecular weight of 214.37 g/mol, XLogP of 5.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;fluoromethane;1,2,4-trimethylbenzene is sourced from PubChem (CID 143343895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).