3-fluoro-4-[2-(2-fluoro-4-hydroxyphenyl)thiophen-3-yl]phenol

C16H10F2O2S — CID 71624682

IUPAC3-fluoro-4-[2-(2-fluoro-4-hydroxyphenyl)thiophen-3-yl]phenol
SMILESOc1ccc(-c2ccsc2-c2ccc(O)cc2F)c(F)c1
InChIInChI=1S/C16H10F2O2S/c17-14-7-9(19)1-3-11(14)12-5-6-21-16(12)13-4-2-10(20)8-15(13)18/h1-8,19-20H
InChIKeyKKTKAMKVBQSPOV-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.77
Rot. Bonds2

About 3-fluoro-4-[2-(2-fluoro-4-hydroxyphenyl)thiophen-3-yl]phenol

3-fluoro-4-[2-(2-fluoro-4-hydroxyphenyl)thiophen-3-yl]phenol (PubChem CID 71624682) has the molecular formula C16H10F2O2S and a molecular weight of 304.32 g/mol. Its IUPAC name is 3-fluoro-4-[2-(2-fluoro-4-hydroxyphenyl)thiophen-3-yl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[2-(2-fluoro-4-hydroxyphenyl)thiophen-3-yl]phenol
PubChem CID71624682
Molecular FormulaC16H10F2O2S
Molecular Weight304.32 g/mol
Exact Mass304.04
IUPAC Name3-fluoro-4-[2-(2-fluoro-4-hydroxyphenyl)thiophen-3-yl]phenol
SMILESOc1ccc(-c2ccsc2-c2ccc(O)cc2F)c(F)c1
InChIInChI=1S/C16H10F2O2S/c17-14-7-9(19)1-3-11(14)12-5-6-21-16(12)13-4-2-10(20)8-15(13)18/h1-8,19-20H
InChIKeyKKTKAMKVBQSPOV-UHFFFAOYSA-N
XLogP4.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(2-fluoro-4-hydroxyphenyl)thiophen-3-yl]phenol?
The IUPAC name of 3-fluoro-4-[2-(2-fluoro-4-hydroxyphenyl)thiophen-3-yl]phenol (CID 71624682) is 3-fluoro-4-[2-(2-fluoro-4-hydroxyphenyl)thiophen-3-yl]phenol.
What is the SMILES notation for 3-fluoro-4-[2-(2-fluoro-4-hydroxyphenyl)thiophen-3-yl]phenol?
The canonical SMILES for 3-fluoro-4-[2-(2-fluoro-4-hydroxyphenyl)thiophen-3-yl]phenol is Oc1ccc(-c2ccsc2-c2ccc(O)cc2F)c(F)c1.
What is the InChIKey of 3-fluoro-4-[2-(2-fluoro-4-hydroxyphenyl)thiophen-3-yl]phenol?
The InChIKey is KKTKAMKVBQSPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2O2S/c17-14-7-9(19)1-3-11(14)12-5-6-21-16(12)13-4-2-10(20)8-15(13)18/h1-8,19-20H.
What are the key properties of 3-fluoro-4-[2-(2-fluoro-4-hydroxyphenyl)thiophen-3-yl]phenol?
3-fluoro-4-[2-(2-fluoro-4-hydroxyphenyl)thiophen-3-yl]phenol has a molecular weight of 304.32 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(2-fluoro-4-hydroxyphenyl)thiophen-3-yl]phenol is sourced from PubChem (CID 71624682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).