methyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate

C10H10F2O3 — CID 138605518

IUPACmethyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate
SMILESCOC(=O)C[C@@H](O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H10F2O3/c1-15-10(14)5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9,13H,5H2,1H3/t9-/m1/s1
InChIKeyOFCUIAGMQILSIM-SECBINFHSA-N
MW216.18 g/mol
LogP1.56
Rot. Bonds3

About methyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate

methyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate (PubChem CID 138605518) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is methyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate
PubChem CID138605518
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Namemethyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate
SMILESCOC(=O)C[C@@H](O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H10F2O3/c1-15-10(14)5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9,13H,5H2,1H3/t9-/m1/s1
InChIKeyOFCUIAGMQILSIM-SECBINFHSA-N
XLogP1.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-3-amino-3-(3,4-difluorophenyl)propanoate
CID 29059566
methyl (3S)-3-amino-3-(3,4-difluorophenyl)propanoate;hydrochloride
CID 171243036
methyl 3-(3,5-difluorophenyl)-3-hydroxypropanoate
CID 19770417
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
CID 11042831
methyl 3-(3,4-difluorophenyl)-3-(propylamino)propanoate
CID 65235912
methyl (3R)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361475
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
methyl 3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361476
methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate
CID 15081579
methyl 5-(4-fluorophenyl)-5-hydroxy-3-oxopentanoate
CID 53235616
methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate
CID 62121072
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate?
The IUPAC name of methyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate (CID 138605518) is methyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate.
What is the SMILES notation for methyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate?
The canonical SMILES for methyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate is COC(=O)C[C@@H](O)c1ccc(F)c(F)c1.
What is the InChIKey of methyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate?
The InChIKey is OFCUIAGMQILSIM-SECBINFHSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-15-10(14)5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9,13H,5H2,1H3/t9-/m1/s1.
What are the key properties of methyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate?
methyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate has a molecular weight of 216.18 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(3,4-difluorophenyl)-3-hydroxypropanoate is sourced from PubChem (CID 138605518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).