2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylthiophene

C12H8F4S — CID 141064474

IUPAC2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylthiophene
SMILESCc1ccsc1-c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H8F4S/c1-7-4-5-17-11(7)9-6-8(12(14,15)16)2-3-10(9)13/h2-6H,1H3
InChIKeyDJXQRJPJFUXIEW-UHFFFAOYSA-N
MW260.25 g/mol
LogP4.88
Rot. Bonds1

About 2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylthiophene

2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylthiophene (PubChem CID 141064474) has the molecular formula C12H8F4S and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylthiophene.

Molecular Properties

Compound Name2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylthiophene
PubChem CID141064474
Molecular FormulaC12H8F4S
Molecular Weight260.25 g/mol
Exact Mass260.03
IUPAC Name2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylthiophene
SMILESCc1ccsc1-c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H8F4S/c1-7-4-5-17-11(7)9-6-8(12(14,15)16)2-3-10(9)13/h2-6H,1H3
InChIKeyDJXQRJPJFUXIEW-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]ethanamine
CID 79991736
N-[[4-fluoro-3-(3-methylthiophen-2-yl)phenyl]methyl]propan-1-amine
CID 79991631
2-(4-fluoro-2-methylphenyl)-3-methylthiophene
CID 70359912
1-fluoro-2-(2-fluorophenyl)-4-(trifluoromethyl)benzene
CID 46314536
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964
4-[2-(3-methylthiophen-2-yl)-5-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 4299973
4-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-dimethylpyrazole
CID 71074470
1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 134618163
1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 118826542
2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 169072337
2-(2-fluoro-3-methylphenyl)-4-(trifluoromethyl)phenol
CID 172879488
2-fluoro-1-[2-iodo-5-(trifluoromethyl)phenyl]-4-methylbenzene
CID 170835752

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylthiophene?
The IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylthiophene (CID 141064474) is 2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylthiophene.
What is the SMILES notation for 2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylthiophene?
The canonical SMILES for 2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylthiophene is Cc1ccsc1-c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylthiophene?
The InChIKey is DJXQRJPJFUXIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4S/c1-7-4-5-17-11(7)9-6-8(12(14,15)16)2-3-10(9)13/h2-6H,1H3.
What are the key properties of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylthiophene?
2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylthiophene has a molecular weight of 260.25 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylthiophene is sourced from PubChem (CID 141064474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).