cyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate

C20H20F2O4 — CID 70013522

IUPACcyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate
SMILESCC(F)(C(=O)OC1CC1)C(O)Cc1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C20H20F2O4/c1-20(22,19(24)26-15-8-9-15)18(23)12-13-7-10-16(21)17(11-13)25-14-5-3-2-4-6-14/h2-7,10-11,15,18,23H,8-9,12H2,1H3
InChIKeyJLFRYTMZVIARNK-UHFFFAOYSA-N
MW362.37 g/mol
LogP3.96
Rot. Bonds7

About cyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate

cyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate (PubChem CID 70013522) has the molecular formula C20H20F2O4 and a molecular weight of 362.37 g/mol. Its IUPAC name is cyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate.

Molecular Properties

Compound Namecyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate
PubChem CID70013522
Molecular FormulaC20H20F2O4
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC Namecyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate
SMILESCC(F)(C(=O)OC1CC1)C(O)Cc1ccc(F)c(Oc2ccccc2)c1
InChIInChI=1S/C20H20F2O4/c1-20(22,19(24)26-15-8-9-15)18(23)12-13-7-10-16(21)17(11-13)25-14-5-3-2-4-6-14/h2-7,10-11,15,18,23H,8-9,12H2,1H3
InChIKeyJLFRYTMZVIARNK-UHFFFAOYSA-N
XLogP3.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(S)-(4-chlorophenyl)-cyclopropylmethyl]-2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxybutanoic acid
CID 11397324
(2R,3R)-2-[(2S)-2-(4-chlorophenyl)-2-cyclopropylethyl]-2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxybutanoic acid
CID 154452581
4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol
CID 141024524
(4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium
CID 19754847
4-[(Z,4R)-4-(4-chlorophenyl)-4-cyclopropyl-3-fluorobut-2-enyl]-1-fluoro-2-phenoxybenzene;2-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxybutanoic acid
CID 160872058
(4-fluoro-3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-2-cyclopropylacetate
CID 54515227
4-(4-chlorophenyl)-4-cyclopropyl-3-fluoro-1-(4-fluoro-3-phenoxyphenyl)but-3-en-2-ol
CID 54171440
4-(4-cyclopropyl-5,5,5-trifluoropentyl)-1-fluoro-2-phenoxybenzene
CID 174257785
(2R,3S)-3-acetyloxy-2-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-methylbutanoic acid
CID 70125450
methyl 4-(4-fluoro-3-phenoxyphenyl)butanoate
CID 150135778
2-(4-fluoro-3-phenoxyphenyl)ethanamine
CID 170887829
4-[4-(4-chlorophenyl)-2,3-difluoro-5,5-dimethylhex-2-enyl]-1-fluoro-2-phenoxybenzene
CID 140995550

Frequently Asked Questions

What is the IUPAC name of cyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate?
The IUPAC name of cyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate (CID 70013522) is cyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate.
What is the SMILES notation for cyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate?
The canonical SMILES for cyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate is CC(F)(C(=O)OC1CC1)C(O)Cc1ccc(F)c(Oc2ccccc2)c1.
What is the InChIKey of cyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate?
The InChIKey is JLFRYTMZVIARNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2O4/c1-20(22,19(24)26-15-8-9-15)18(23)12-13-7-10-16(21)17(11-13)25-14-5-3-2-4-6-14/h2-7,10-11,15,18,23H,8-9,12H2,1H3.
What are the key properties of cyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate?
cyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate has a molecular weight of 362.37 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 2-fluoro-4-(4-fluoro-3-phenoxyphenyl)-3-hydroxy-2-methylbutanoate is sourced from PubChem (CID 70013522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).