2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene

C16H15F3 — CID 141308047

IUPAC2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene
SMILESCCCc1ccc(-c2ccc(C)c(F)c2F)c(F)c1
InChIInChI=1S/C16H15F3/c1-3-4-11-6-8-12(14(17)9-11)13-7-5-10(2)15(18)16(13)19/h5-9H,3-4H2,1-2H3
InChIKeyHLXIYKZNOFVQIU-UHFFFAOYSA-N
MW264.29 g/mol
LogP5.03
Rot. Bonds3

About 2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene

2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene (PubChem CID 141308047) has the molecular formula C16H15F3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene.

Molecular Properties

Compound Name2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene
PubChem CID141308047
Molecular FormulaC16H15F3
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene
SMILESCCCc1ccc(-c2ccc(C)c(F)c2F)c(F)c1
InChIInChI=1S/C16H15F3/c1-3-4-11-6-8-12(14(17)9-11)13-7-5-10(2)15(18)16(13)19/h5-9H,3-4H2,1-2H3
InChIKeyHLXIYKZNOFVQIU-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.29
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene 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

2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]benzene
CID 118858881
2,3-difluoro-1-[4-[(2-fluoro-4-propylphenoxy)methyl]phenyl]-4-methylbenzene
CID 58140637
2,3-difluoro-1-(2-fluoro-4-nonylphenyl)-4-(4-nonylphenyl)benzene
CID 10768709
1,3,4-trifluoro-5-(2-fluoro-4-octylphenyl)-2-methylbenzene
CID 54257205
1,2-difluoro-4-propylbenzene;methane
CID 160697343
4-(2-fluoro-4-propylphenyl)phenol
CID 139457311
2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733
2,3-difluoro-1-[3-fluoro-4-(4-hexylphenyl)phenyl]-4-methylbenzene
CID 121369897
1,2,3-trifluoro-5-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]benzene
CID 18513410
2-fluoro-4-[2-(4-methoxyphenyl)ethyl]-1-(4-propylphenyl)benzene
CID 19906916
1-decoxy-2,3-difluoro-4-(2-fluoro-4-nonylphenyl)benzene
CID 70190083
1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene
CID 54541075

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene?
The IUPAC name of 2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene (CID 141308047) is 2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene.
What is the SMILES notation for 2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene?
The canonical SMILES for 2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene is CCCc1ccc(-c2ccc(C)c(F)c2F)c(F)c1.
What is the InChIKey of 2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene?
The InChIKey is HLXIYKZNOFVQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3/c1-3-4-11-6-8-12(14(17)9-11)13-7-5-10(2)15(18)16(13)19/h5-9H,3-4H2,1-2H3.
What are the key properties of 2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene?
2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene has a molecular weight of 264.29 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene is sourced from PubChem (CID 141308047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).