3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]thiophene

C12H8ClF3S — CID 130282745

IUPAC3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]thiophene
SMILESCc1sc(-c2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C12H8ClF3S/c1-7-10(13)6-11(17-7)8-3-2-4-9(5-8)12(14,15)16/h2-6H,1H3
InChIKeyHHUZGWRXVDMCFT-UHFFFAOYSA-N
MW276.71 g/mol
LogP5.40
Rot. Bonds1

About 3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]thiophene

3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]thiophene (PubChem CID 130282745) has the molecular formula C12H8ClF3S and a molecular weight of 276.71 g/mol. Its IUPAC name is 3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]thiophene.

Molecular Properties

Compound Name3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]thiophene
PubChem CID130282745
Molecular FormulaC12H8ClF3S
Molecular Weight276.71 g/mol
Exact Mass276.00
IUPAC Name3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]thiophene
SMILESCc1sc(-c2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C12H8ClF3S/c1-7-10(13)6-11(17-7)8-3-2-4-9(5-8)12(14,15)16/h2-6H,1H3
InChIKeyHHUZGWRXVDMCFT-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.71
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]thiophene?
The IUPAC name of 3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]thiophene (CID 130282745) is 3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]thiophene.
What is the SMILES notation for 3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]thiophene?
The canonical SMILES for 3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]thiophene is Cc1sc(-c2cccc(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of 3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]thiophene?
The InChIKey is HHUZGWRXVDMCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3S/c1-7-10(13)6-11(17-7)8-3-2-4-9(5-8)12(14,15)16/h2-6H,1H3.
What are the key properties of 3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]thiophene?
3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]thiophene has a molecular weight of 276.71 g/mol, XLogP of 5.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-5-[3-(trifluoromethyl)phenyl]thiophene is sourced from PubChem (CID 130282745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).