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

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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).