2,2-difluoro-3-phenyl-3-phenylmethoxypropanoic acid

C16H14F2O3 — CID 139665547

IUPAC2,2-difluoro-3-phenyl-3-phenylmethoxypropanoic acid
SMILESO=C(O)C(F)(F)C(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H14F2O3/c17-16(18,15(19)20)14(13-9-5-2-6-10-13)21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,19,20)
InChIKeyJQKPKAMJIFNOSA-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.66
Rot. Bonds6

About 2,2-difluoro-3-phenyl-3-phenylmethoxypropanoic acid

2,2-difluoro-3-phenyl-3-phenylmethoxypropanoic acid (PubChem CID 139665547) has the molecular formula C16H14F2O3 and a molecular weight of 292.28 g/mol. Its IUPAC name is 2,2-difluoro-3-phenyl-3-phenylmethoxypropanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-phenyl-3-phenylmethoxypropanoic acid
PubChem CID139665547
Molecular FormulaC16H14F2O3
Molecular Weight292.28 g/mol
Exact Mass292.09
IUPAC Name2,2-difluoro-3-phenyl-3-phenylmethoxypropanoic acid
SMILESO=C(O)C(F)(F)C(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H14F2O3/c17-16(18,15(19)20)14(13-9-5-2-6-10-13)21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,19,20)
InChIKeyJQKPKAMJIFNOSA-UHFFFAOYSA-N
XLogP3.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2,2-difluoro-3-(4-fluorophenyl)-3-phenylmethoxypropanoate
CID 10925783
2-(2,2,2-trifluoro-1-phenylethoxy)acetic acid
CID 2833951
2,2-difluoro-3-(2,3,4,5,6-pentaiodobenzoyl)oxy-3-phenylpropanoic acid
CID 156523244
methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate
CID 102059602
benzhydryloxymethylbenzene
CID 11437288
2-fluoro-2-(phenylmethoxymethyl)propanedioic acid
CID 67878922
(4-acetyloxy-2-fluoro-2-methyl-4-phenylmethoxybutyl) acetate
CID 67779035
ditert-butyl 2-[(1R,2S)-1-hydroxy-2-phenyl-2-phenylmethoxyethyl]propanedioate
CID 10972261
(1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
CID 12060228
(2,2,2-trifluoro-1-phenylethyl) hydrogen carbonate
CID 90981293
(2-amino-2-oxo-1-phenylmethoxyethyl) acetate
CID 154369518
4-(1-phenylmethoxyethyl)benzoic acid
CID 174549407

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-phenyl-3-phenylmethoxypropanoic acid?
The IUPAC name of 2,2-difluoro-3-phenyl-3-phenylmethoxypropanoic acid (CID 139665547) is 2,2-difluoro-3-phenyl-3-phenylmethoxypropanoic acid.
What is the SMILES notation for 2,2-difluoro-3-phenyl-3-phenylmethoxypropanoic acid?
The canonical SMILES for 2,2-difluoro-3-phenyl-3-phenylmethoxypropanoic acid is O=C(O)C(F)(F)C(OCc1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-difluoro-3-phenyl-3-phenylmethoxypropanoic acid?
The InChIKey is JQKPKAMJIFNOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O3/c17-16(18,15(19)20)14(13-9-5-2-6-10-13)21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,19,20).
What are the key properties of 2,2-difluoro-3-phenyl-3-phenylmethoxypropanoic acid?
2,2-difluoro-3-phenyl-3-phenylmethoxypropanoic acid has a molecular weight of 292.28 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-phenyl-3-phenylmethoxypropanoic acid is sourced from PubChem (CID 139665547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).