2-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]thiophene-3-carboxylic acid

C14H13FO3S — CID 107432653

IUPAC2-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]thiophene-3-carboxylic acid
SMILESCC(O)(Cc1ccc(F)cc1)c1sccc1C(=O)O
InChIInChI=1S/C14H13FO3S/c1-14(18,8-9-2-4-10(15)5-3-9)12-11(13(16)17)6-7-19-12/h2-7,18H,8H2,1H3,(H,16,17)
InChIKeyBLFXBYYPFSSVTC-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.04
Rot. Bonds4

About 2-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]thiophene-3-carboxylic acid

2-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]thiophene-3-carboxylic acid (PubChem CID 107432653) has the molecular formula C14H13FO3S and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]thiophene-3-carboxylic acid
PubChem CID107432653
Molecular FormulaC14H13FO3S
Molecular Weight280.32 g/mol
Exact Mass280.06
IUPAC Name2-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]thiophene-3-carboxylic acid
SMILESCC(O)(Cc1ccc(F)cc1)c1sccc1C(=O)O
InChIInChI=1S/C14H13FO3S/c1-14(18,8-9-2-4-10(15)5-3-9)12-11(13(16)17)6-7-19-12/h2-7,18H,8H2,1H3,(H,16,17)
InChIKeyBLFXBYYPFSSVTC-UHFFFAOYSA-N
XLogP3.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 63220221
2-(3-chlorothiophen-2-yl)-1-phenylpropan-2-ol
CID 107358997
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65144980
1-(4-ethylphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 63990522
3-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 114834276
2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid
CID 107431992
2-[(4-fluorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149275
1-(4-fluorophenyl)-2-methyl-3-thiophen-2-ylpropan-2-ol
CID 114833192
2-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833204
1-(4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 58481762
2-(3-methylnonan-3-yl)thiophene-3-carboxylic acid
CID 138747060

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]thiophene-3-carboxylic acid?
The IUPAC name of 2-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]thiophene-3-carboxylic acid (CID 107432653) is 2-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]thiophene-3-carboxylic acid is CC(O)(Cc1ccc(F)cc1)c1sccc1C(=O)O.
What is the InChIKey of 2-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]thiophene-3-carboxylic acid?
The InChIKey is BLFXBYYPFSSVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO3S/c1-14(18,8-9-2-4-10(15)5-3-9)12-11(13(16)17)6-7-19-12/h2-7,18H,8H2,1H3,(H,16,17).
What are the key properties of 2-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]thiophene-3-carboxylic acid?
2-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]thiophene-3-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]thiophene-3-carboxylic acid is sourced from PubChem (CID 107432653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).