3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene

C12H9F3OS — CID 145460723

IUPAC3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene
SMILESCc1cscc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H9F3OS/c1-8-6-17-7-11(8)9-3-2-4-10(5-9)16-12(13,14)15/h2-7H,1H3
InChIKeyNXORPUINVHLHCL-UHFFFAOYSA-N
MW258.26 g/mol
LogP4.62
Rot. Bonds2

About 3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene

3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene (PubChem CID 145460723) has the molecular formula C12H9F3OS and a molecular weight of 258.26 g/mol. Its IUPAC name is 3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene.

Molecular Properties

Compound Name3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene
PubChem CID145460723
Molecular FormulaC12H9F3OS
Molecular Weight258.26 g/mol
Exact Mass258.03
IUPAC Name3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene
SMILESCc1cscc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H9F3OS/c1-8-6-17-7-11(8)9-3-2-4-10(5-9)16-12(13,14)15/h2-7H,1H3
InChIKeyNXORPUINVHLHCL-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546
2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228226
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
3-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 134624116
2,4-dimethyl-5-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 119023762
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene?
The IUPAC name of 3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene (CID 145460723) is 3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene.
What is the SMILES notation for 3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene?
The canonical SMILES for 3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene is Cc1cscc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene?
The InChIKey is NXORPUINVHLHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3OS/c1-8-6-17-7-11(8)9-3-2-4-10(5-9)16-12(13,14)15/h2-7H,1H3.
What are the key properties of 3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene?
3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene has a molecular weight of 258.26 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene is sourced from PubChem (CID 145460723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).