methyl 3-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-2-methylpropanoate

C15H19FO3 — CID 134466095

IUPACmethyl 3-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(F)C(c1cccc(OC)c1)C1CC1
InChIInChI=1S/C15H19FO3/c1-15(16,14(17)19-3)13(10-7-8-10)11-5-4-6-12(9-11)18-2/h4-6,9-10,13H,7-8H2,1-3H3
InChIKeyFJQZOWXKPJVKNA-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.09
Rot. Bonds5

About methyl 3-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-2-methylpropanoate

methyl 3-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-2-methylpropanoate (PubChem CID 134466095) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is methyl 3-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-2-methylpropanoate
PubChem CID134466095
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Namemethyl 3-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(F)C(c1cccc(OC)c1)C1CC1
InChIInChI=1S/C15H19FO3/c1-15(16,14(17)19-3)13(10-7-8-10)11-5-4-6-12(9-11)18-2/h4-6,9-10,13H,7-8H2,1-3H3
InChIKeyFJQZOWXKPJVKNA-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-3-cyclopropyl-2-fluoro-2-methyl-3-[3-(trifluoromethylsulfonyloxy)phenyl]propanoate
CID 146316666
methyl (3S)-3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-cyclopropyl-2-fluoro-2-methylpropanoate
CID 151278311
methyl (2R,3S)-3-cyclopropyl-2-fluoro-3-(3-hydroxyphenyl)-2-methylpropanoate
CID 134465922
(3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-2-methylpropanoic acid;sulfane
CID 157238722
1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one
CID 141244570
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
(2R,3S)-3-[3-[[4-(2-chloro-5-methoxyphenyl)cyclohexyl]methoxy]phenyl]-3-cyclopropyl-2-fluoro-2-methylpropanoic acid
CID 134465914
(3S)-3-cyclopropyl-2-fluoro-3-(3-hydroxyphenyl)-2-methylpropanoic acid
CID 146316709
(3S)-3-cyclopropyl-2-fluoro-3-[3-[[4-(2-fluoro-5-methoxyphenyl)cyclohexyl]oxymethyl]phenyl]-2-methylpropanoic acid
CID 134466109
methyl 3-(dimethylamino)-3-(3-methoxyphenyl)-2,2-dimethylpropanoate
CID 116910360
(2R)-4,4,4-trifluoro-2-(3-methoxyphenyl)-3-oxobutanenitrile
CID 86318932
2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 103258095

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-2-methylpropanoate?
The IUPAC name of methyl 3-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-2-methylpropanoate (CID 134466095) is methyl 3-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-2-methylpropanoate?
The canonical SMILES for methyl 3-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-2-methylpropanoate is COC(=O)C(C)(F)C(c1cccc(OC)c1)C1CC1.
What is the InChIKey of methyl 3-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-2-methylpropanoate?
The InChIKey is FJQZOWXKPJVKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-15(16,14(17)19-3)13(10-7-8-10)11-5-4-6-12(9-11)18-2/h4-6,9-10,13H,7-8H2,1-3H3.
What are the key properties of methyl 3-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-2-methylpropanoate?
methyl 3-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-2-methylpropanoate has a molecular weight of 266.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-2-methylpropanoate is sourced from PubChem (CID 134466095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).