2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimine

C12H14F3NO2 — CID 171922386

IUPAC2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimine
SMILESCOC(/C=N/Cc1ccc(C(F)(F)F)cc1)OC
InChIInChI=1S/C12H14F3NO2/c1-17-11(18-2)8-16-7-9-3-5-10(6-4-9)12(13,14)15/h3-6,8,11H,7H2,1-2H3/b16-8+
InChIKeyXQHMOSNBPYOXGC-LZYBPNLTSA-N
MW261.24 g/mol
LogP2.90
Rot. Bonds5

About 2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimine

2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimine (PubChem CID 171922386) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimine.

Molecular Properties

Compound Name2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimine
PubChem CID171922386
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimine
SMILESCOC(/C=N/Cc1ccc(C(F)(F)F)cc1)OC
InChIInChI=1S/C12H14F3NO2/c1-17-11(18-2)8-16-7-9-3-5-10(6-4-9)12(13,14)15/h3-6,8,11H,7H2,1-2H3/b16-8+
InChIKeyXQHMOSNBPYOXGC-LZYBPNLTSA-N
XLogP2.90
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3,3,3-trifluoro-2-(methoxymethoxy)prop-1-en-1-imine
CID 134986240
N-benzyl-2,2-diethoxyethanimine
CID 13977689
Methyl 2-[(3,4-difluorophenyl)methylimino]acetate
CID 139818736
2,2-diethoxy-N'-[[4-(trifluoromethyl)phenyl]methyl]ethanimidamide
CID 155392006
2,2-diethoxy-N-(1-phenylethyl)ethanimine
CID 72819751
2,2-diethoxy-N-[(1R)-1-phenylethyl]ethanimine
CID 11368340
Benzenemethanamine, N-(2,2-dimethoxyethylidene)-
CID 46855578
N-(1,1-Dimethoxypropan-2-ylidene)-1-phenylmethanamine
CID 71380533
Methyl 2-[(4-methylphenyl)methylimino]acetate
CID 139818828
2,2-diethoxy-N-[(1S)-1-phenylethyl]ethanimine
CID 139989799
2,2-dimethoxy-N-[(1R)-1-phenylethyl]ethanimine
CID 139989801
N-benzyl-3,3-dimethoxypropan-1-imine oxide
CID 10013845

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimine?
The IUPAC name of 2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimine (CID 171922386) is 2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimine.
What is the SMILES notation for 2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimine?
The canonical SMILES for 2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimine is COC(/C=N/Cc1ccc(C(F)(F)F)cc1)OC.
What is the InChIKey of 2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimine?
The InChIKey is XQHMOSNBPYOXGC-LZYBPNLTSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-17-11(18-2)8-16-7-9-3-5-10(6-4-9)12(13,14)15/h3-6,8,11H,7H2,1-2H3/b16-8+.
What are the key properties of 2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimine?
2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimine has a molecular weight of 261.24 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanimine is sourced from PubChem (CID 171922386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).