5-[2,6-difluoro-4-(4-methylphenyl)phenyl]-3-methyl-2-(trifluoromethyl)thiophene

C19H13F5S — CID 174339187

IUPAC5-[2,6-difluoro-4-(4-methylphenyl)phenyl]-3-methyl-2-(trifluoromethyl)thiophene
SMILESCc1ccc(-c2cc(F)c(-c3cc(C)c(C(F)(F)F)s3)c(F)c2)cc1
InChIInChI=1S/C19H13F5S/c1-10-3-5-12(6-4-10)13-8-14(20)17(15(21)9-13)16-7-11(2)18(25-16)19(22,23)24/h3-9H,1-2H3
InChIKeyKWUGYFSKOOZODB-UHFFFAOYSA-N
MW368.37 g/mol
LogP7.00
Rot. Bonds2

About 5-[2,6-difluoro-4-(4-methylphenyl)phenyl]-3-methyl-2-(trifluoromethyl)thiophene

5-[2,6-difluoro-4-(4-methylphenyl)phenyl]-3-methyl-2-(trifluoromethyl)thiophene (PubChem CID 174339187) has the molecular formula C19H13F5S and a molecular weight of 368.37 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(4-methylphenyl)phenyl]-3-methyl-2-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(4-methylphenyl)phenyl]-3-methyl-2-(trifluoromethyl)thiophene
PubChem CID174339187
Molecular FormulaC19H13F5S
Molecular Weight368.37 g/mol
Exact Mass368.07
IUPAC Name5-[2,6-difluoro-4-(4-methylphenyl)phenyl]-3-methyl-2-(trifluoromethyl)thiophene
SMILESCc1ccc(-c2cc(F)c(-c3cc(C)c(C(F)(F)F)s3)c(F)c2)cc1
InChIInChI=1S/C19H13F5S/c1-10-3-5-12(6-4-10)13-8-14(20)17(15(21)9-13)16-7-11(2)18(25-16)19(22,23)24/h3-9H,1-2H3
InChIKeyKWUGYFSKOOZODB-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.37
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-[2,6-difluoro-4-(4-methylphenyl)phenyl]-3-methyl-2-(trifluoromethyl)thiophene 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-(4-methylphenyl)-2-(trifluoromethyl)benzene
CID 21026844
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 145464175
2-cyclopropyl-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene
CID 166999789
[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol
CID 70852511
1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]-2-(trifluoromethyl)benzene;methane
CID 159994488
2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890
1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 121356402
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
2-cyclopentyloxy-5-[2,6-difluoro-4-(4-methylphenyl)phenyl]thiophene
CID 174171984
1,3-difluoro-5-[4-(7-fluoroheptyl)phenyl]-2-(4-methylphenyl)benzene
CID 20663476
ethane;1,3,5-tris(4-methylphenyl)benzene
CID 91508266
2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene
CID 59133253

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(4-methylphenyl)phenyl]-3-methyl-2-(trifluoromethyl)thiophene?
The IUPAC name of 5-[2,6-difluoro-4-(4-methylphenyl)phenyl]-3-methyl-2-(trifluoromethyl)thiophene (CID 174339187) is 5-[2,6-difluoro-4-(4-methylphenyl)phenyl]-3-methyl-2-(trifluoromethyl)thiophene.
What is the SMILES notation for 5-[2,6-difluoro-4-(4-methylphenyl)phenyl]-3-methyl-2-(trifluoromethyl)thiophene?
The canonical SMILES for 5-[2,6-difluoro-4-(4-methylphenyl)phenyl]-3-methyl-2-(trifluoromethyl)thiophene is Cc1ccc(-c2cc(F)c(-c3cc(C)c(C(F)(F)F)s3)c(F)c2)cc1.
What is the InChIKey of 5-[2,6-difluoro-4-(4-methylphenyl)phenyl]-3-methyl-2-(trifluoromethyl)thiophene?
The InChIKey is KWUGYFSKOOZODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5S/c1-10-3-5-12(6-4-10)13-8-14(20)17(15(21)9-13)16-7-11(2)18(25-16)19(22,23)24/h3-9H,1-2H3.
What are the key properties of 5-[2,6-difluoro-4-(4-methylphenyl)phenyl]-3-methyl-2-(trifluoromethyl)thiophene?
5-[2,6-difluoro-4-(4-methylphenyl)phenyl]-3-methyl-2-(trifluoromethyl)thiophene has a molecular weight of 368.37 g/mol, XLogP of 7.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-(4-methylphenyl)phenyl]-3-methyl-2-(trifluoromethyl)thiophene is sourced from PubChem (CID 174339187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).