3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]thiophene

C13H11F3S — CID 141064472

IUPAC3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]thiophene
SMILESCc1cc(C)c(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C13H11F3S/c1-8-7-9(2)17-12(8)10-3-5-11(6-4-10)13(14,15)16/h3-7H,1-2H3
InChIKeyKZBFKCBQHWPANZ-UHFFFAOYSA-N
MW256.29 g/mol
LogP5.05
Rot. Bonds1

About 3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]thiophene

3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]thiophene (PubChem CID 141064472) has the molecular formula C13H11F3S and a molecular weight of 256.29 g/mol. Its IUPAC name is 3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]thiophene.

Molecular Properties

Compound Name3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]thiophene
PubChem CID141064472
Molecular FormulaC13H11F3S
Molecular Weight256.29 g/mol
Exact Mass256.05
IUPAC Name3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]thiophene
SMILESCc1cc(C)c(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C13H11F3S/c1-8-7-9(2)17-12(8)10-3-5-11(6-4-10)13(14,15)16/h3-7H,1-2H3
InChIKeyKZBFKCBQHWPANZ-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.29
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-2,5-bis[4-(trifluoromethyl)phenyl]thiophen-3-amine
CID 134841274
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
2-methyl-6-(trifluoromethyl)-1-benzothiophene
CID 20759987
2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 23005194
2-methyl-5-(trifluoromethyl)-1-benzothiophene
CID 58242584
2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene
CID 101437034
7-(4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-b][1]benzothiole
CID 58121720
(2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 43339470
(3,5-dimethylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 81157519
[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 22280004
2-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]cyclohexa-2,5-diene-1,4-dione
CID 118119510

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]thiophene?
The IUPAC name of 3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]thiophene (CID 141064472) is 3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]thiophene.
What is the SMILES notation for 3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]thiophene?
The canonical SMILES for 3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]thiophene is Cc1cc(C)c(-c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]thiophene?
The InChIKey is KZBFKCBQHWPANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3S/c1-8-7-9(2)17-12(8)10-3-5-11(6-4-10)13(14,15)16/h3-7H,1-2H3.
What are the key properties of 3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]thiophene?
3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]thiophene has a molecular weight of 256.29 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]thiophene is sourced from PubChem (CID 141064472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).