1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene

C14H9F5 — CID 21026844

IUPAC1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene
SMILESCc1ccc(-c2cc(F)c(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C14H9F5/c1-8-2-4-9(5-3-8)10-6-11(15)13(12(16)7-10)14(17,18)19/h2-7H,1H3
InChIKeyKKJUAFZXDFLPHR-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.96
Rot. Bonds1

About 1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene

1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene (PubChem CID 21026844) has the molecular formula C14H9F5 and a molecular weight of 272.22 g/mol. Its IUPAC name is 1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene
PubChem CID21026844
Molecular FormulaC14H9F5
Molecular Weight272.22 g/mol
Exact Mass272.06
IUPAC Name1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene
SMILESCc1ccc(-c2cc(F)c(C(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C14H9F5/c1-8-2-4-9(5-3-8)10-6-11(15)13(12(16)7-10)14(17,18)19/h2-7H,1H3
InChIKeyKKJUAFZXDFLPHR-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene 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

1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane
CID 159994488
[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol
CID 70852511
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 145464175
2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890
1,3-difluoro-5-(4-methylphenyl)-2-(3,3,3-trifluoroprop-1-enyl)benzene;ethane
CID 143726986
5-[2,6-difluoro-4-(4-methylphenyl)phenyl]-3-methyl-2-(trifluoromethyl)thiophene
CID 174339187
1,3-difluoro-5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)benzene
CID 143727087
1,3-difluoro-5-(4-methylphenyl)-2-methylsulfanylbenzene
CID 163198061
2-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-3-fluorophenyl]-5-methylpyrimidine
CID 162556013
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine
CID 102408426
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene (CID 21026844) is 1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene is Cc1ccc(-c2cc(F)c(C(F)(F)F)c(F)c2)cc1.
What is the InChIKey of 1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene?
The InChIKey is KKJUAFZXDFLPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5/c1-8-2-4-9(5-3-8)10-6-11(15)13(12(16)7-10)14(17,18)19/h2-7H,1H3.
What are the key properties of 1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene?
1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene has a molecular weight of 272.22 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 21026844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).