methyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate

C11H12F2O2 — CID 162412493

IUPACmethyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate
SMILESCOC(=O)C[C@@H](CF)c1ccccc1F
InChIInChI=1S/C11H12F2O2/c1-15-11(14)6-8(7-12)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3/t8-/m0/s1
InChIKeyGNZNFOBOMADDAS-QMMMGPOBSA-N
MW214.21 g/mol
LogP2.44
Rot. Bonds4

About methyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate

methyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate (PubChem CID 162412493) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is methyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate.

Molecular Properties

Compound Namemethyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate
PubChem CID162412493
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Namemethyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate
SMILESCOC(=O)C[C@@H](CF)c1ccccc1F
InChIInChI=1S/C11H12F2O2/c1-15-11(14)6-8(7-12)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3/t8-/m0/s1
InChIKeyGNZNFOBOMADDAS-QMMMGPOBSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid
CID 157200249
methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate
CID 65235054
methyl 4-amino-3-(2,3-difluorophenyl)butanoate
CID 66096205
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl 3-amino-3-(2,3-difluorophenyl)propanoate
CID 63668898
methyl 4-amino-3-[2-(difluoromethoxy)phenyl]butanoate
CID 66098301
methyl (3R)-3-amino-3-(3-fluoro-2-methylphenyl)propanoate;hydrochloride
CID 171247663
methyl (3R)-3-hydroxy-3-(2-methylphenyl)propanoate;hydrochloride
CID 54593844
ethane;methyl 3-hydroxy-3-(2-methylphenyl)propanoate
CID 144861707
methyl (4R)-4-(2-fluorophenyl)-5-nitro-2-oxopentanoate
CID 102460568
ethyl (3S)-3-amino-3-(2-fluorophenyl)propanoate
CID 723062
methyl 2-(2-fluorophenyl)-3-hydroxypropanoate
CID 117244488

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate?
The IUPAC name of methyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate (CID 162412493) is methyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate.
What is the SMILES notation for methyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate?
The canonical SMILES for methyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate is COC(=O)C[C@@H](CF)c1ccccc1F.
What is the InChIKey of methyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate?
The InChIKey is GNZNFOBOMADDAS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-15-11(14)6-8(7-12)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3/t8-/m0/s1.
What are the key properties of methyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate?
methyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate has a molecular weight of 214.21 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate is sourced from PubChem (CID 162412493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).