2-chloro-5-[4-(trifluoromethyl)thiophen-3-yl]phenol

C11H6ClF3OS — CID 112745659

IUPAC2-chloro-5-[4-(trifluoromethyl)thiophen-3-yl]phenol
SMILESOc1cc(-c2cscc2C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H6ClF3OS/c12-9-2-1-6(3-10(9)16)7-4-17-5-8(7)11(13,14)15/h1-5,16H
InChIKeyQDEDUKVHTCHOQR-UHFFFAOYSA-N
MW278.68 g/mol
LogP4.79
Rot. Bonds1

About 2-chloro-5-[4-(trifluoromethyl)thiophen-3-yl]phenol

2-chloro-5-[4-(trifluoromethyl)thiophen-3-yl]phenol (PubChem CID 112745659) has the molecular formula C11H6ClF3OS and a molecular weight of 278.68 g/mol. Its IUPAC name is 2-chloro-5-[4-(trifluoromethyl)thiophen-3-yl]phenol.

Molecular Properties

Compound Name2-chloro-5-[4-(trifluoromethyl)thiophen-3-yl]phenol
PubChem CID112745659
Molecular FormulaC11H6ClF3OS
Molecular Weight278.68 g/mol
Exact Mass277.98
IUPAC Name2-chloro-5-[4-(trifluoromethyl)thiophen-3-yl]phenol
SMILESOc1cc(-c2cscc2C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H6ClF3OS/c12-9-2-1-6(3-10(9)16)7-4-17-5-8(7)11(13,14)15/h1-5,16H
InChIKeyQDEDUKVHTCHOQR-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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Related Compounds

2-chloro-5-[2-fluoro-3-(trifluoromethyl)phenyl]phenol
CID 53221515
4-[4-(trifluoromethyl)thiophen-3-yl]benzoic acid
CID 112745569
2-chloro-5-(2-fluorophenyl)phenol
CID 46314345
2-chloro-5-(2,4-difluorophenyl)phenol
CID 53221267
5-(5-bromo-2-fluorophenyl)-2-chlorophenol
CID 83130970
2-chloro-5-(2-chloro-4-methylphenyl)phenol
CID 53221345
1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene
CID 134625918
1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene
CID 134627973
4-chlorobenzene-1,3-diol
CID 1731
1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271206
2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]phenol
CID 53221517
1,2-dichloro-4-[4-chloro-3-(trifluoromethyl)phenyl]benzene
CID 118805005

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(trifluoromethyl)thiophen-3-yl]phenol?
The IUPAC name of 2-chloro-5-[4-(trifluoromethyl)thiophen-3-yl]phenol (CID 112745659) is 2-chloro-5-[4-(trifluoromethyl)thiophen-3-yl]phenol.
What is the SMILES notation for 2-chloro-5-[4-(trifluoromethyl)thiophen-3-yl]phenol?
The canonical SMILES for 2-chloro-5-[4-(trifluoromethyl)thiophen-3-yl]phenol is Oc1cc(-c2cscc2C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-5-[4-(trifluoromethyl)thiophen-3-yl]phenol?
The InChIKey is QDEDUKVHTCHOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3OS/c12-9-2-1-6(3-10(9)16)7-4-17-5-8(7)11(13,14)15/h1-5,16H.
What are the key properties of 2-chloro-5-[4-(trifluoromethyl)thiophen-3-yl]phenol?
2-chloro-5-[4-(trifluoromethyl)thiophen-3-yl]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-chloro-5-[4-(trifluoromethyl)thiophen-3-yl]phenol is sourced from PubChem (CID 112745659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).