3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene

C17H10ClF3S — CID 102358532

IUPAC3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene
SMILESFC(F)(F)c1ccc(-c2cscc2-c2ccccc2Cl)cc1
InChIInChI=1S/C17H10ClF3S/c18-16-4-2-1-3-13(16)15-10-22-9-14(15)11-5-7-12(8-6-11)17(19,20)21/h1-10H
InChIKeyWKYHKJCYZLEWSE-UHFFFAOYSA-N
MW338.78 g/mol
LogP6.75
Rot. Bonds2

About 3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene

3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene (PubChem CID 102358532) has the molecular formula C17H10ClF3S and a molecular weight of 338.78 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene
PubChem CID102358532
Molecular FormulaC17H10ClF3S
Molecular Weight338.78 g/mol
Exact Mass338.01
IUPAC Name3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene
SMILESFC(F)(F)c1ccc(-c2cscc2-c2ccccc2Cl)cc1
InChIInChI=1S/C17H10ClF3S/c18-16-4-2-1-3-13(16)15-10-22-9-14(15)11-5-7-12(8-6-11)17(19,20)21/h1-10H
InChIKeyWKYHKJCYZLEWSE-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.78
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chlorophenyl)-4-phenylthiophene
CID 134951243
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
[2-[4-(trifluoromethyl)phenyl]phenyl]phosphane
CID 138671682
2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide
CID 134626188
1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 171525544
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene
CID 162568601
[2-[4-(trifluoromethyl)phenyl]phenyl]iodanium tetrafluoroborate
CID 87834390
3-(4-fluorophenoxy)-4-[4-(trifluoromethyl)phenyl]thiophene
CID 56991558
4-(2-chlorophenyl)-5-methyl-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-1H-imidazole
CID 146049709
1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene
CID 139967906
[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631582

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene?
The IUPAC name of 3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene (CID 102358532) is 3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene.
What is the SMILES notation for 3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene?
The canonical SMILES for 3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene is FC(F)(F)c1ccc(-c2cscc2-c2ccccc2Cl)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene?
The InChIKey is WKYHKJCYZLEWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3S/c18-16-4-2-1-3-13(16)15-10-22-9-14(15)11-5-7-12(8-6-11)17(19,20)21/h1-10H.
What are the key properties of 3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene?
3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene has a molecular weight of 338.78 g/mol, XLogP of 6.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene is sourced from PubChem (CID 102358532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).