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

C9H8F2O3 — CID 61237250

IUPAC2-(3,4-difluorophenyl)-2-hydroxypropanoic acid
SMILESCC(O)(C(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C9H8F2O3/c1-9(14,8(12)13)5-2-3-6(10)7(11)4-5/h2-4,14H,1H3,(H,12,13)
InChIKeyBOGHUECNIVZWRH-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.26
Rot. Bonds2

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

2-(3,4-difluorophenyl)-2-hydroxypropanoic acid (PubChem CID 61237250) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-hydroxypropanoic acid
PubChem CID61237250
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Name2-(3,4-difluorophenyl)-2-hydroxypropanoic acid
SMILESCC(O)(C(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C9H8F2O3/c1-9(14,8(12)13)5-2-3-6(10)7(11)4-5/h2-4,14H,1H3,(H,12,13)
InChIKeyBOGHUECNIVZWRH-UHFFFAOYSA-N
XLogP1.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
ethyl 2-(3,4-difluorophenyl)-2-hydroxypropanoate
CID 62215035
ethyl (2S)-2-(3,4-difluorophenyl)-2-hydroxypropanoate
CID 94376533
2,2-bis(3,4-difluorophenyl)-2-hydroxyacetate;bromomethane
CID 22044228
(2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid
CID 68847804
2-(3,4-difluorophenyl)-2-hydroxy-2-phenylacetamide
CID 139993859
2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
CID 22056978
(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439
2-(3,4-difluorophenyl)-2-(2-fluoroanilino)propanoic acid
CID 60994733
2-(3,4-difluorophenyl)-3-methylbutan-2-ol
CID 62802016
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
1-(3,4-difluorophenyl)-1-(4-methylphenyl)ethanol
CID 62801185

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-hydroxypropanoic acid?
The IUPAC name of 2-(3,4-difluorophenyl)-2-hydroxypropanoic acid (CID 61237250) is 2-(3,4-difluorophenyl)-2-hydroxypropanoic acid.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-hydroxypropanoic acid?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-hydroxypropanoic acid is CC(O)(C(=O)O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-hydroxypropanoic acid?
The InChIKey is BOGHUECNIVZWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O3/c1-9(14,8(12)13)5-2-3-6(10)7(11)4-5/h2-4,14H,1H3,(H,12,13).
What are the key properties of 2-(3,4-difluorophenyl)-2-hydroxypropanoic acid?
2-(3,4-difluorophenyl)-2-hydroxypropanoic acid has a molecular weight of 202.16 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-hydroxypropanoic acid is sourced from PubChem (CID 61237250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).