methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate

C16H15FO2 — CID 72723306

IUPACmethyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate
SMILESCOC(=O)[C@@H](c1ccccc1)[C@H](F)c1ccccc1
InChIInChI=1S/C16H15FO2/c1-19-16(18)14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h2-11,14-15H,1H3/t14-,15+/m0/s1
InChIKeyDSYRGZXESKFTMI-LSDHHAIUSA-N
MW258.29 g/mol
LogP3.65
Rot. Bonds4

About methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate

methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate (PubChem CID 72723306) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate.

Molecular Properties

Compound Namemethyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate
PubChem CID72723306
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Namemethyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate
SMILESCOC(=O)[C@@H](c1ccccc1)[C@H](F)c1ccccc1
InChIInChI=1S/C16H15FO2/c1-19-16(18)14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h2-11,14-15H,1H3/t14-,15+/m0/s1
InChIKeyDSYRGZXESKFTMI-LSDHHAIUSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S,3R)-3-fluoro-2-methyl-3-phenylpropanoate
CID 12617133
methyl 3-iodo-2,3-diphenylpropanoate
CID 10451510
methyl (2S,3S)-3-fluoro-2-methyl-3-phenylpropanoate
CID 23234221
methyl (2R,3R,4R)-4-fluoro-5-oxo-2,3-diphenylpentanoate
CID 164670038
methyl (2S)-2-[(S)-fluoro(phenyl)methyl]-3-methylbutanoate
CID 23234245
dimethyl 2-acetyl-3-phenylbutanedioate
CID 67244265
methyl 3-methyl-4-oxo-2-phenylpentanoate
CID 101419627
methyl 3-acetyloxy-2,3-diphenylpropanoate
CID 23262242
methyl 3-methyl-2-(4-phenylphenyl)butanoate
CID 65454371
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
methyl 3-(methoxycarbonylamino)-4-methyl-2-phenylpentanoate
CID 13248569
methyl (2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenylpropanoate
CID 72545735

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate?
The IUPAC name of methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate (CID 72723306) is methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate.
What is the SMILES notation for methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate?
The canonical SMILES for methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate is COC(=O)[C@@H](c1ccccc1)[C@H](F)c1ccccc1.
What is the InChIKey of methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate?
The InChIKey is DSYRGZXESKFTMI-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H15FO2/c1-19-16(18)14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h2-11,14-15H,1H3/t14-,15+/m0/s1.
What are the key properties of methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate?
methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate has a molecular weight of 258.29 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate is sourced from PubChem (CID 72723306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).