2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid

C10H10F2O3 — CID 117307716

IUPAC2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid
SMILESCC(CO)c1cc(F)c(F)c(C(=O)O)c1
InChIInChI=1S/C10H10F2O3/c1-5(4-13)6-2-7(10(14)15)9(12)8(11)3-6/h2-3,5,13H,4H2,1H3,(H,14,15)
InChIKeyXXHPFQZTBRGNRE-UHFFFAOYSA-N
MW216.18 g/mol
LogP1.76
Rot. Bonds3

About 2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid

2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid (PubChem CID 117307716) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid.

Molecular Properties

Compound Name2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid
PubChem CID117307716
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid
SMILESCC(CO)c1cc(F)c(F)c(C(=O)O)c1
InChIInChI=1S/C10H10F2O3/c1-5(4-13)6-2-7(10(14)15)9(12)8(11)3-6/h2-3,5,13H,4H2,1H3,(H,14,15)
InChIKeyXXHPFQZTBRGNRE-UHFFFAOYSA-N
XLogP1.76
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-5-(4-oxobutan-2-yl)benzoic acid
CID 117328293
ethane;2-(3,4,5-trifluorophenyl)propan-1-ol
CID 143774717
2-(4-chloro-3,5-difluorophenyl)propan-1-ol
CID 117295346
3-fluoro-2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]benzoic acid
CID 117329855
2-fluoro-4-[(1S)-1-(methylamino)ethyl]benzoic acid
CID 131163051
2-amino-1-(2,3-difluoro-5-propan-2-ylphenyl)ethanone
CID 117303848
2,3-difluoro-5-hydroxybenzoic acid
CID 26596765
2,3-difluoro-5-(methylsulfamoyl)benzoic acid
CID 68839247
2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
CID 175062708
2-fluoro-4-[(3-hydroxy-2-methylpropyl)amino]benzoic acid
CID 115485507
2,4,5-trifluoro-3-methylbenzoic acid
CID 11805514
2-(butan-2-ylamino)-2-(3,4,5-trifluorophenyl)acetic acid
CID 63077158

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid?
The IUPAC name of 2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid (CID 117307716) is 2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid.
What is the SMILES notation for 2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid?
The canonical SMILES for 2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid is CC(CO)c1cc(F)c(F)c(C(=O)O)c1.
What is the InChIKey of 2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid?
The InChIKey is XXHPFQZTBRGNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-5(4-13)6-2-7(10(14)15)9(12)8(11)3-6/h2-3,5,13H,4H2,1H3,(H,14,15).
What are the key properties of 2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid?
2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid has a molecular weight of 216.18 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-(1-hydroxypropan-2-yl)benzoic acid is sourced from PubChem (CID 117307716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).