1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene

C15H14F2 — CID 20727464

IUPAC1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene
SMILESCCc1ccc(-c2ccc(C)cc2)c(F)c1F
InChIInChI=1S/C15H14F2/c1-3-11-8-9-13(15(17)14(11)16)12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3
InChIKeyPUGLEZNOXFVKJF-UHFFFAOYSA-N
MW232.27 g/mol
LogP4.50
Rot. Bonds2

About 1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene

1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene (PubChem CID 20727464) has the molecular formula C15H14F2 and a molecular weight of 232.27 g/mol. Its IUPAC name is 1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene
PubChem CID20727464
Molecular FormulaC15H14F2
Molecular Weight232.27 g/mol
Exact Mass232.11
IUPAC Name1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene
SMILESCCc1ccc(-c2ccc(C)cc2)c(F)c1F
InChIInChI=1S/C15H14F2/c1-3-11-8-9-13(15(17)14(11)16)12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3
InChIKeyPUGLEZNOXFVKJF-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627
1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 118911713
1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene
CID 123581052
1-ethyl-2-methyl-3,4-bis(4-methylphenyl)benzene
CID 173306177
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene
CID 146536354
4-[2,3-difluoro-4-(4-methylphenyl)phenyl]-N-propylaniline
CID 129140693
1-ethyl-4-[4-(4-ethylcyclohexen-1-yl)phenyl]-2,3-difluorobenzene
CID 142297519
1-[3-fluoro-2-methoxy-4-(4-methylphenyl)phenyl]butan-2-one
CID 58383270
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 147217763
1-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 118601461
2,3-difluoro-1-[2-(4-methylcyclohexyl)ethyl]-4-(4-methylphenyl)benzene
CID 20683285
1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone
CID 142331657

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene?
The IUPAC name of 1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene (CID 20727464) is 1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene.
What is the SMILES notation for 1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene?
The canonical SMILES for 1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene is CCc1ccc(-c2ccc(C)cc2)c(F)c1F.
What is the InChIKey of 1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene?
The InChIKey is PUGLEZNOXFVKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2/c1-3-11-8-9-13(15(17)14(11)16)12-6-4-10(2)5-7-12/h4-9H,3H2,1-2H3.
What are the key properties of 1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene?
1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene has a molecular weight of 232.27 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene is sourced from PubChem (CID 20727464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).