2-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]-5-(trifluoromethyl)thiophene

C19H14F4S — CID 177321444

IUPAC2-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]-5-(trifluoromethyl)thiophene
SMILESCc1ccc(-c2cc(F)c(-c3ccc(C(F)(F)F)s3)cc2C)cc1
InChIInChI=1S/C19H14F4S/c1-11-3-5-13(6-4-11)14-10-16(20)15(9-12(14)2)17-7-8-18(24-17)19(21,22)23/h3-10H,1-2H3
InChIKeyHDYQNBQXRCDAMQ-UHFFFAOYSA-N
MW350.38 g/mol
LogP6.86
Rot. Bonds2

About 2-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]-5-(trifluoromethyl)thiophene

2-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]-5-(trifluoromethyl)thiophene (PubChem CID 177321444) has the molecular formula C19H14F4S and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name2-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]-5-(trifluoromethyl)thiophene
PubChem CID177321444
Molecular FormulaC19H14F4S
Molecular Weight350.38 g/mol
Exact Mass350.08
IUPAC Name2-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]-5-(trifluoromethyl)thiophene
SMILESCc1ccc(-c2cc(F)c(-c3ccc(C(F)(F)F)s3)cc2C)cc1
InChIInChI=1S/C19H14F4S/c1-11-3-5-13(6-4-11)14-10-16(20)15(9-12(14)2)17-7-8-18(24-17)19(21,22)23/h3-10H,1-2H3
InChIKeyHDYQNBQXRCDAMQ-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.38
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]-5-(trifluoromethyl)thiophene?
The IUPAC name of 2-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]-5-(trifluoromethyl)thiophene (CID 177321444) is 2-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]-5-(trifluoromethyl)thiophene.
What is the SMILES notation for 2-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]-5-(trifluoromethyl)thiophene?
The canonical SMILES for 2-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]-5-(trifluoromethyl)thiophene is Cc1ccc(-c2cc(F)c(-c3ccc(C(F)(F)F)s3)cc2C)cc1.
What is the InChIKey of 2-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]-5-(trifluoromethyl)thiophene?
The InChIKey is HDYQNBQXRCDAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4S/c1-11-3-5-13(6-4-11)14-10-16(20)15(9-12(14)2)17-7-8-18(24-17)19(21,22)23/h3-10H,1-2H3.
What are the key properties of 2-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]-5-(trifluoromethyl)thiophene?
2-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]-5-(trifluoromethyl)thiophene has a molecular weight of 350.38 g/mol, XLogP of 6.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 177321444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).