(2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid

C9H8F2O3 — CID 68847804

IUPAC(2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid
SMILESC[C@@](O)(C(=O)O)c1cc(F)cc(F)c1
InChIInChI=1S/C9H8F2O3/c1-9(14,8(12)13)5-2-6(10)4-7(11)3-5/h2-4,14H,1H3,(H,12,13)/t9-/m0/s1
InChIKeyPIRFKLCWZMSXPK-VIFPVBQESA-N
MW202.16 g/mol
LogP1.26
Rot. Bonds2

About (2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid

(2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid (PubChem CID 68847804) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is (2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid
PubChem CID68847804
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Name(2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid
SMILESC[C@@](O)(C(=O)O)c1cc(F)cc(F)c1
InChIInChI=1S/C9H8F2O3/c1-9(14,8(12)13)5-2-6(10)4-7(11)3-5/h2-4,14H,1H3,(H,12,13)/t9-/m0/s1
InChIKeyPIRFKLCWZMSXPK-VIFPVBQESA-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

(2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid
CID 91290117
2-(3,4-difluorophenyl)-2-hydroxypropanoic acid
CID 61237250
2-(3,5-difluorophenyl)-4-hydroxy-2-methylbutanoic acid
CID 117049901
acetic acid;1,3,5-trifluorobenzene
CID 162178148
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
(2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid
CID 130657350
2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
CID 22056978
(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439
2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
CID 70572731
4-cyano-2-(3,5-difluorophenyl)-2-methylbutanoic acid
CID 117049578
2-methyl-2-(2,4,6-trifluorophenyl)propanoic acid
CID 83402908
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid?
The IUPAC name of (2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid (CID 68847804) is (2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid is C[C@@](O)(C(=O)O)c1cc(F)cc(F)c1.
What is the InChIKey of (2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid?
The InChIKey is PIRFKLCWZMSXPK-VIFPVBQESA-N. The full InChI is InChI=1S/C9H8F2O3/c1-9(14,8(12)13)5-2-6(10)4-7(11)3-5/h2-4,14H,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid?
(2S)-2-(3,5-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 (2S)-2-(3,5-difluorophenyl)-2-hydroxypropanoic acid is sourced from PubChem (CID 68847804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).