4-(2,3-difluorophenyl)-4-hydroxybutanoic acid

C10H10F2O3 — CID 63668220

IUPAC4-(2,3-difluorophenyl)-4-hydroxybutanoic acid
SMILESO=C(O)CCC(O)c1cccc(F)c1F
InChIInChI=1S/C10H10F2O3/c11-7-3-1-2-6(10(7)12)8(13)4-5-9(14)15/h1-3,8,13H,4-5H2,(H,14,15)
InChIKeyVVDAZVNCBFEJJK-UHFFFAOYSA-N
MW216.18 g/mol
LogP1.86
Rot. Bonds4

About 4-(2,3-difluorophenyl)-4-hydroxybutanoic acid

4-(2,3-difluorophenyl)-4-hydroxybutanoic acid (PubChem CID 63668220) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-4-hydroxybutanoic acid
PubChem CID63668220
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name4-(2,3-difluorophenyl)-4-hydroxybutanoic acid
SMILESO=C(O)CCC(O)c1cccc(F)c1F
InChIInChI=1S/C10H10F2O3/c11-7-3-1-2-6(10(7)12)8(13)4-5-9(14)15/h1-3,8,13H,4-5H2,(H,14,15)
InChIKeyVVDAZVNCBFEJJK-UHFFFAOYSA-N
XLogP1.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

propyl 4-(2,3-difluorophenyl)-4-hydroxybutanoate
CID 63668218
3-(2,3-difluorophenyl)-3-hydroxypropanoate
CID 19770355
4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171877250
3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol
CID 115810816
3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid
CID 63667269
4-(2-amino-3-chlorophenyl)-4-hydroxybutanoic acid
CID 105487348
1-(2,3-difluorophenyl)-4-methoxypentan-1-ol
CID 105099608
4-(2,6-difluorophenyl)pentanoic acid
CID 135358255
1-(2,3-difluorophenyl)-3-(furan-2-yl)propan-1-ol
CID 105099638
(1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171237818
5-(2,3-difluorophenyl)hexan-2-one
CID 83925446
4-(2-fluoro-4-methoxyphenyl)-4-hydroxybutanoic acid
CID 43561615

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-4-hydroxybutanoic acid?
The IUPAC name of 4-(2,3-difluorophenyl)-4-hydroxybutanoic acid (CID 63668220) is 4-(2,3-difluorophenyl)-4-hydroxybutanoic acid.
What is the SMILES notation for 4-(2,3-difluorophenyl)-4-hydroxybutanoic acid?
The canonical SMILES for 4-(2,3-difluorophenyl)-4-hydroxybutanoic acid is O=C(O)CCC(O)c1cccc(F)c1F.
What is the InChIKey of 4-(2,3-difluorophenyl)-4-hydroxybutanoic acid?
The InChIKey is VVDAZVNCBFEJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c11-7-3-1-2-6(10(7)12)8(13)4-5-9(14)15/h1-3,8,13H,4-5H2,(H,14,15).
What are the key properties of 4-(2,3-difluorophenyl)-4-hydroxybutanoic acid?
4-(2,3-difluorophenyl)-4-hydroxybutanoic acid has a molecular weight of 216.18 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-4-hydroxybutanoic acid is sourced from PubChem (CID 63668220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).