2,3,3,3-tetrafluoro-2-methoxy-N-(1-phenylethyl)propan-1-imine

C12H13F4NO — CID 101266837

IUPAC2,3,3,3-tetrafluoro-2-methoxy-N-(1-phenylethyl)propan-1-imine
SMILESCOC(F)(/C=N/C(C)c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H13F4NO/c1-9(10-6-4-3-5-7-10)17-8-11(13,18-2)12(14,15)16/h3-9H,1-2H3/b17-8+
InChIKeyVXMQHRFSSIRWLY-CAOOACKPSA-N
MW263.23 g/mol
LogP3.69
Rot. Bonds4

About 2,3,3,3-tetrafluoro-2-methoxy-N-(1-phenylethyl)propan-1-imine

2,3,3,3-tetrafluoro-2-methoxy-N-(1-phenylethyl)propan-1-imine (PubChem CID 101266837) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-methoxy-N-(1-phenylethyl)propan-1-imine.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-methoxy-N-(1-phenylethyl)propan-1-imine
PubChem CID101266837
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name2,3,3,3-tetrafluoro-2-methoxy-N-(1-phenylethyl)propan-1-imine
SMILESCOC(F)(/C=N/C(C)c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H13F4NO/c1-9(10-6-4-3-5-7-10)17-8-11(13,18-2)12(14,15)16/h3-9H,1-2H3/b17-8+
InChIKeyVXMQHRFSSIRWLY-CAOOACKPSA-N
XLogP3.69
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-(2,2-Difluoroethylidene)-1-phenylethylamine
CID 2758283
N-[(S)-1-Phenylethyl]-2,2,2-trifluoroethane-1-imine
CID 10750577
N-[(R)-alpha-Methylbenzyl]-2,2,2-trifluoroethaneimine
CID 68566087
(S)-N-(2,2-Difluoroethylidene)-1-phenylethylamine
CID 7009147
2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine
CID 11229989
3,3,3-trifluoro-2-(methoxymethoxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-imine
CID 134986322
N-[(1R)-1-phenylethyl]propan-1-imine
CID 10725667
N-(1-phenylethyl)propan-1-imine
CID 12371676
Methyl (2Z)-{[(1R)-1-phenylethyl]imino}acetate
CID 86598924
2,2-difluoro-N-(1-phenylethyl)ethanimine
CID 4712673
3,3,4,4,5,5,5-heptafluoro-N-[(1S)-1-phenylethyl]pentan-2-imine
CID 10615229
(S)-(1-phenylethyl)-(2',2',2'-trifluoro-1-methylethylidene)-amine
CID 10846338

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-methoxy-N-(1-phenylethyl)propan-1-imine?
The IUPAC name of 2,3,3,3-tetrafluoro-2-methoxy-N-(1-phenylethyl)propan-1-imine (CID 101266837) is 2,3,3,3-tetrafluoro-2-methoxy-N-(1-phenylethyl)propan-1-imine.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-methoxy-N-(1-phenylethyl)propan-1-imine?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-methoxy-N-(1-phenylethyl)propan-1-imine is COC(F)(/C=N/C(C)c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-methoxy-N-(1-phenylethyl)propan-1-imine?
The InChIKey is VXMQHRFSSIRWLY-CAOOACKPSA-N. The full InChI is InChI=1S/C12H13F4NO/c1-9(10-6-4-3-5-7-10)17-8-11(13,18-2)12(14,15)16/h3-9H,1-2H3/b17-8+.
What are the key properties of 2,3,3,3-tetrafluoro-2-methoxy-N-(1-phenylethyl)propan-1-imine?
2,3,3,3-tetrafluoro-2-methoxy-N-(1-phenylethyl)propan-1-imine has a molecular weight of 263.23 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-methoxy-N-(1-phenylethyl)propan-1-imine is sourced from PubChem (CID 101266837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).