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

C13H10ClF3S — CID 130283044

IUPAC3-chloro-2-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene
SMILESCCc1sc(-c2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C13H10ClF3S/c1-2-11-10(14)7-12(18-11)8-4-3-5-9(6-8)13(15,16)17/h3-7H,2H2,1H3
InChIKeyQUQWALZARWXITQ-UHFFFAOYSA-N
MW290.74 g/mol
LogP5.65
Rot. Bonds2

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

3-chloro-2-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene (PubChem CID 130283044) has the molecular formula C13H10ClF3S and a molecular weight of 290.74 g/mol. Its IUPAC name is 3-chloro-2-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene.

Molecular Properties

Compound Name3-chloro-2-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene
PubChem CID130283044
Molecular FormulaC13H10ClF3S
Molecular Weight290.74 g/mol
Exact Mass290.01
IUPAC Name3-chloro-2-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene
SMILESCCc1sc(-c2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C13H10ClF3S/c1-2-11-10(14)7-12(18-11)8-4-3-5-9(6-8)13(15,16)17/h3-7H,2H2,1H3
InChIKeyQUQWALZARWXITQ-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.74
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene?
The IUPAC name of 3-chloro-2-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene (CID 130283044) is 3-chloro-2-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene.
What is the SMILES notation for 3-chloro-2-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene?
The canonical SMILES for 3-chloro-2-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene is CCc1sc(-c2cccc(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of 3-chloro-2-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene?
The InChIKey is QUQWALZARWXITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3S/c1-2-11-10(14)7-12(18-11)8-4-3-5-9(6-8)13(15,16)17/h3-7H,2H2,1H3.
What are the key properties of 3-chloro-2-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene?
3-chloro-2-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene has a molecular weight of 290.74 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene is sourced from PubChem (CID 130283044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).