2-chloro-5-fluoro-4-thiophen-3-ylphenol

C10H6ClFOS — CID 130507254

IUPAC2-chloro-5-fluoro-4-thiophen-3-ylphenol
SMILESOc1cc(F)c(-c2ccsc2)cc1Cl
InChIInChI=1S/C10H6ClFOS/c11-8-3-7(6-1-2-14-5-6)9(12)4-10(8)13/h1-5,13H
InChIKeyADKOFBVOTHBFRC-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.91
Rot. Bonds1

About 2-chloro-5-fluoro-4-thiophen-3-ylphenol

2-chloro-5-fluoro-4-thiophen-3-ylphenol (PubChem CID 130507254) has the molecular formula C10H6ClFOS and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-thiophen-3-ylphenol.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-thiophen-3-ylphenol
PubChem CID130507254
Molecular FormulaC10H6ClFOS
Molecular Weight228.68 g/mol
Exact Mass227.98
IUPAC Name2-chloro-5-fluoro-4-thiophen-3-ylphenol
SMILESOc1cc(F)c(-c2ccsc2)cc1Cl
InChIInChI=1S/C10H6ClFOS/c11-8-3-7(6-1-2-14-5-6)9(12)4-10(8)13/h1-5,13H
InChIKeyADKOFBVOTHBFRC-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-chloro-5-fluorophenol
CID 137335223
2-chloro-5-fluorobenzene-1,4-diol
CID 45119169
3-(2,3,5-trichlorophenyl)thiophene
CID 130088556
4-phenyl-3-thiophen-3-ylphenol
CID 141017100
2,5-dichloro-4-(2-fluorophenyl)phenol
CID 107663319
2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 138377814
4-(1-benzylpyrazol-4-yl)-2-chloro-5-fluorophenol
CID 138381254
2,5-dichloro-4-fluorophenol
CID 3535760
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-N-ethylbenzamide
CID 137334943
3,5-difluoro-4-thiophen-3-ylaniline
CID 164656773
2-chloro-5-(2,4-difluorophenyl)phenol
CID 53221267
4-thiophen-3-ylphenol
CID 4130342

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-thiophen-3-ylphenol?
The IUPAC name of 2-chloro-5-fluoro-4-thiophen-3-ylphenol (CID 130507254) is 2-chloro-5-fluoro-4-thiophen-3-ylphenol.
What is the SMILES notation for 2-chloro-5-fluoro-4-thiophen-3-ylphenol?
The canonical SMILES for 2-chloro-5-fluoro-4-thiophen-3-ylphenol is Oc1cc(F)c(-c2ccsc2)cc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-4-thiophen-3-ylphenol?
The InChIKey is ADKOFBVOTHBFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFOS/c11-8-3-7(6-1-2-14-5-6)9(12)4-10(8)13/h1-5,13H.
What are the key properties of 2-chloro-5-fluoro-4-thiophen-3-ylphenol?
2-chloro-5-fluoro-4-thiophen-3-ylphenol has a molecular weight of 228.68 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-thiophen-3-ylphenol is sourced from PubChem (CID 130507254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).