methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanimidate

C11H12F3NO2 — CID 10538427

IUPACmethyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanimidate
SMILES[H]/N=C(\OC)C(OC)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-16-9(15)10(17-2,11(12,13)14)8-6-4-3-5-7-8/h3-7,15H,1-2H3/b15-9-
InChIKeyMULHNISROOQFKR-DHDCSXOGSA-N
MW247.22 g/mol
LogP2.71
Rot. Bonds3

About methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanimidate

methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanimidate (PubChem CID 10538427) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanimidate.

Molecular Properties

Compound Namemethyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanimidate
PubChem CID10538427
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Namemethyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanimidate
SMILES[H]/N=C(\OC)C(OC)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-16-9(15)10(17-2,11(12,13)14)8-6-4-3-5-7-8/h3-7,15H,1-2H3/b15-9-
InChIKeyMULHNISROOQFKR-DHDCSXOGSA-N
XLogP2.71
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Methoxyphenyl(trifluoromethyl)acetonitrile
CID 589652
Benzenecarboximidic acid, 3-(trifluoromethyl)-, ethyl ester
CID 2730240
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CID 59192872
Trifluoroacetimidic acid benzyl ester
CID 67176211
[(2R)-1,1,1-trifluoro-2-methoxy-3-methylbutan-2-yl]benzene
CID 135042511
(4,4,4-Trifluoro-2-methoxybutan-2-yl)benzene
CID 156763187
(4,4,5,5,6,6,7,7,7-Nonafluoro-2-methoxyheptan-2-yl)benzene
CID 156765042
(r)-1,1,1-Trifluoro-2-methoxy-2-phenyl-3,4-epoxybutane
CID 129655258
[Ethoxy-[3-(trifluoromethyl)phenyl]methylidene]azanium
CID 134872266
[1-Methoxy-2-(trifluoromethoxy)ethyl]benzene
CID 138971637
(6R)-6-methyl-2-[(1R)-2,2,2-trifluoro-1-methoxy-1-phenylethyl]-5,6-dihydro-4H-1,3-oxazine
CID 10850828
(1,1,1-Trifluoro-2-methoxybut-3-en-2-yl)benzene
CID 11042146

Frequently Asked Questions

What is the IUPAC name of methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanimidate?
The IUPAC name of methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanimidate (CID 10538427) is methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanimidate.
What is the SMILES notation for methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanimidate?
The canonical SMILES for methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanimidate is [H]/N=C(\OC)C(OC)(c1ccccc1)C(F)(F)F.
What is the InChIKey of methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanimidate?
The InChIKey is MULHNISROOQFKR-DHDCSXOGSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-16-9(15)10(17-2,11(12,13)14)8-6-4-3-5-7-8/h3-7,15H,1-2H3/b15-9-.
What are the key properties of methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanimidate?
methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanimidate has a molecular weight of 247.22 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3,3-trifluoro-2-methoxy-2-phenylpropanimidate is sourced from PubChem (CID 10538427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).