ethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene

C19H25F — CID 144503009

IUPACethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene
SMILESCC.Cc1ccc(-c2ccc(F)c(C)c2C)c(C)c1C
InChIInChI=1S/C17H19F.C2H6/c1-10-6-7-15(12(3)11(10)2)16-8-9-17(18)14(5)13(16)4;1-2/h6-9H,1-5H3;1-2H3
InChIKeyUUGRHJUHHHHRDD-UHFFFAOYSA-N
MW272.41 g/mol
LogP6.06
Rot. Bonds1

About ethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene

ethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene (PubChem CID 144503009) has the molecular formula C19H25F and a molecular weight of 272.41 g/mol. Its IUPAC name is ethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene.

Molecular Properties

Compound Nameethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene
PubChem CID144503009
Molecular FormulaC19H25F
Molecular Weight272.41 g/mol
Exact Mass272.19
IUPAC Nameethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene
SMILESCC.Cc1ccc(-c2ccc(F)c(C)c2C)c(C)c1C
InChIInChI=1S/C17H19F.C2H6/c1-10-6-7-15(12(3)11(10)2)16-8-9-17(18)14(5)13(16)4;1-2/h6-9H,1-5H3;1-2H3
InChIKeyUUGRHJUHHHHRDD-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.41
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene?
The IUPAC name of ethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene (CID 144503009) is ethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene.
What is the SMILES notation for ethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene?
The canonical SMILES for ethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene is CC.Cc1ccc(-c2ccc(F)c(C)c2C)c(C)c1C.
What is the InChIKey of ethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene?
The InChIKey is UUGRHJUHHHHRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F.C2H6/c1-10-6-7-15(12(3)11(10)2)16-8-9-17(18)14(5)13(16)4;1-2/h6-9H,1-5H3;1-2H3.
What are the key properties of ethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene?
ethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene has a molecular weight of 272.41 g/mol, XLogP of 6.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene is sourced from PubChem (CID 144503009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).