2-(2-chlorothiophen-3-yl)-4-(trifluoromethyl)phenol

C11H6ClF3OS — CID 174526218

IUPAC2-(2-chlorothiophen-3-yl)-4-(trifluoromethyl)phenol
SMILESOc1ccc(C(F)(F)F)cc1-c1ccsc1Cl
InChIInChI=1S/C11H6ClF3OS/c12-10-7(3-4-17-10)8-5-6(11(13,14)15)1-2-9(8)16/h1-5,16H
InChIKeyHAPOWDVVNAGKMZ-UHFFFAOYSA-N
MW278.68 g/mol
LogP4.79
Rot. Bonds1

About 2-(2-chlorothiophen-3-yl)-4-(trifluoromethyl)phenol

2-(2-chlorothiophen-3-yl)-4-(trifluoromethyl)phenol (PubChem CID 174526218) has the molecular formula C11H6ClF3OS and a molecular weight of 278.68 g/mol. Its IUPAC name is 2-(2-chlorothiophen-3-yl)-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(2-chlorothiophen-3-yl)-4-(trifluoromethyl)phenol
PubChem CID174526218
Molecular FormulaC11H6ClF3OS
Molecular Weight278.68 g/mol
Exact Mass277.98
IUPAC Name2-(2-chlorothiophen-3-yl)-4-(trifluoromethyl)phenol
SMILESOc1ccc(C(F)(F)F)cc1-c1ccsc1Cl
InChIInChI=1S/C11H6ClF3OS/c12-10-7(3-4-17-10)8-5-6(11(13,14)15)1-2-9(8)16/h1-5,16H
InChIKeyHAPOWDVVNAGKMZ-UHFFFAOYSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.68
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorothiophen-3-yl)-4-(trifluoromethyl)phenol?
The IUPAC name of 2-(2-chlorothiophen-3-yl)-4-(trifluoromethyl)phenol (CID 174526218) is 2-(2-chlorothiophen-3-yl)-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(2-chlorothiophen-3-yl)-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-(2-chlorothiophen-3-yl)-4-(trifluoromethyl)phenol is Oc1ccc(C(F)(F)F)cc1-c1ccsc1Cl.
What is the InChIKey of 2-(2-chlorothiophen-3-yl)-4-(trifluoromethyl)phenol?
The InChIKey is HAPOWDVVNAGKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3OS/c12-10-7(3-4-17-10)8-5-6(11(13,14)15)1-2-9(8)16/h1-5,16H.
What are the key properties of 2-(2-chlorothiophen-3-yl)-4-(trifluoromethyl)phenol?
2-(2-chlorothiophen-3-yl)-4-(trifluoromethyl)phenol has a molecular weight of 278.68 g/mol, XLogP of 4.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorothiophen-3-yl)-4-(trifluoromethyl)phenol is sourced from PubChem (CID 174526218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).