(3E)-3-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-1-amine

C11H13F3N2O — CID 58684355

IUPAC(3E)-3-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-1-amine
SMILESNCC/C=N/OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)10-4-1-3-9(7-10)8-17-16-6-2-5-15/h1,3-4,6-7H,2,5,8,15H2/b16-6+
InChIKeyJQOOYXNHSUXBGU-OMCISZLKSA-N
MW246.23 g/mol
LogP2.56
Rot. Bonds5

About (3E)-3-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-1-amine

(3E)-3-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-1-amine (PubChem CID 58684355) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is (3E)-3-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-1-amine.

Molecular Properties

Compound Name(3E)-3-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-1-amine
PubChem CID58684355
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name(3E)-3-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-1-amine
SMILESNCC/C=N/OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)10-4-1-3-9(7-10)8-17-16-6-2-5-15/h1,3-4,6-7H,2,5,8,15H2/b16-6+
InChIKeyJQOOYXNHSUXBGU-OMCISZLKSA-N
XLogP2.56
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pentanal O-benzyloxime
CID 9602269
(E)-N-phenylmethoxypropan-1-imine
CID 11789542
n-butyraldehyde-O-benzyloxime
CID 129775686
(Z)-3-Hexenal, PFBO # 1
CID 91752836
5-Hexenal oxime, o-[(pentafluorophenyl)methyl]-
CID 9603506
trans-4-Hexenal oxime, o-[(pentafluorophenyl)methyl]-
CID 9603517
m-Tolualdehyde O-pentafluorophenylmethyl-oxime
CID 91727710
(E)-N-[(4-fluorophenyl)methoxy]ethanimine
CID 14128517
(E)-N-[(3,4-difluorophenyl)methoxy]-2,2-dimethylpropan-1-imine
CID 20584648
5-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 22184724
N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine
CID 22356645
(2E)-2-[[3-(trifluoromethyl)phenyl]methoxyimino]ethanamine
CID 58684117

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-1-amine?
The IUPAC name of (3E)-3-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-1-amine (CID 58684355) is (3E)-3-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-1-amine.
What is the SMILES notation for (3E)-3-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-1-amine?
The canonical SMILES for (3E)-3-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-1-amine is NCC/C=N/OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of (3E)-3-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-1-amine?
The InChIKey is JQOOYXNHSUXBGU-OMCISZLKSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)10-4-1-3-9(7-10)8-17-16-6-2-5-15/h1,3-4,6-7H,2,5,8,15H2/b16-6+.
What are the key properties of (3E)-3-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-1-amine?
(3E)-3-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-1-amine has a molecular weight of 246.23 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[3-(trifluoromethyl)phenyl]methoxyimino]propan-1-amine is sourced from PubChem (CID 58684355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).