3-(2,3-difluorophenyl)-3-hydroxypropanoate

C9H7F2O3- — CID 19770355

IUPAC3-(2,3-difluorophenyl)-3-hydroxypropanoate
SMILESO=C([O-])CC(O)c1cccc(F)c1F
InChIInChI=1S/C9H8F2O3/c10-6-3-1-2-5(9(6)11)7(12)4-8(13)14/h1-3,7,12H,4H2,(H,13,14)/p-1
InChIKeyQSMIBIRWJGUNKQ-UHFFFAOYSA-M
MW201.15 g/mol
LogP0.14
Rot. Bonds3

About 3-(2,3-difluorophenyl)-3-hydroxypropanoate

3-(2,3-difluorophenyl)-3-hydroxypropanoate (PubChem CID 19770355) has the molecular formula C9H7F2O3- and a molecular weight of 201.15 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-3-hydroxypropanoate.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-3-hydroxypropanoate
PubChem CID19770355
Molecular FormulaC9H7F2O3-
Molecular Weight201.15 g/mol
Exact Mass201.04
IUPAC Name3-(2,3-difluorophenyl)-3-hydroxypropanoate
SMILESO=C([O-])CC(O)c1cccc(F)c1F
InChIInChI=1S/C9H8F2O3/c10-6-3-1-2-5(9(6)11)7(12)4-8(13)14/h1-3,7,12H,4H2,(H,13,14)/p-1
InChIKeyQSMIBIRWJGUNKQ-UHFFFAOYSA-M
XLogP0.14
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-difluorophenyl)-4-hydroxybutanoic acid
CID 63668220
4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171877250
3-(2,3-dichlorophenyl)-3-hydroxypropanoate
CID 19770439
(3R)-3-azaniumyl-3-(2-fluorophenyl)propanoate
CID 7062294
(1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171237818
3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol
CID 115810816
propyl 4-(2,3-difluorophenyl)-4-hydroxybutanoate
CID 63668218
methyl 4-amino-3-(2,3-difluorophenyl)butanoate
CID 66096205
1-(2,3-difluorophenyl)-4-methoxypentan-1-ol
CID 105099608
(2,3-difluorophenyl)-hydroxymethanesulfonic acid
CID 103574207
2-amino-3-(2,3-difluorophenyl)-3-hydroxypropanoic acid
CID 66204310
3-(2,3-difluorophenyl)-2,2-difluoro-3-hydroxypropanoic acid
CID 63667269

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-3-hydroxypropanoate?
The IUPAC name of 3-(2,3-difluorophenyl)-3-hydroxypropanoate (CID 19770355) is 3-(2,3-difluorophenyl)-3-hydroxypropanoate.
What is the SMILES notation for 3-(2,3-difluorophenyl)-3-hydroxypropanoate?
The canonical SMILES for 3-(2,3-difluorophenyl)-3-hydroxypropanoate is O=C([O-])CC(O)c1cccc(F)c1F.
What is the InChIKey of 3-(2,3-difluorophenyl)-3-hydroxypropanoate?
The InChIKey is QSMIBIRWJGUNKQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8F2O3/c10-6-3-1-2-5(9(6)11)7(12)4-8(13)14/h1-3,7,12H,4H2,(H,13,14)/p-1.
What are the key properties of 3-(2,3-difluorophenyl)-3-hydroxypropanoate?
3-(2,3-difluorophenyl)-3-hydroxypropanoate has a molecular weight of 201.15 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-3-hydroxypropanoate is sourced from PubChem (CID 19770355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).