1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine

C10H9F4NO — CID 57099402

IUPAC1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C10H9F4NO/c1-6(15-16-2)7-3-4-8(9(11)5-7)10(12,13)14/h3-5,15H,1H2,2H3
InChIKeyJBKVHOKRYRXRFW-UHFFFAOYSA-N
MW235.18 g/mol
LogP2.97
Rot. Bonds3

About 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine

1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine (PubChem CID 57099402) has the molecular formula C10H9F4NO and a molecular weight of 235.18 g/mol. Its IUPAC name is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
PubChem CID57099402
Molecular FormulaC10H9F4NO
Molecular Weight235.18 g/mol
Exact Mass235.06
IUPAC Name1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine
SMILESC=C(NOC)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C10H9F4NO/c1-6(15-16-2)7-3-4-8(9(11)5-7)10(12,13)14/h3-5,15H,1H2,2H3
InChIKeyJBKVHOKRYRXRFW-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzenemethanamine, 3-fluoro-N-methoxy-
CID 12146886
n-(3,4-Difluoro-benzyl)-o-methyl-hydroxylamine
CID 12146889
Benzenemethanamine, 4-fluoro-N-methoxy-
CID 12147060
2,4-Difluoro-N-methoxybenzenemethanamine
CID 21947410
1-(2-Fluorophenyl)-N-methoxymethanamine
CID 21947485
n-(4-Fluoro-2-trifluoromethyl-benzyl)-o-methyl-hydroxylamine
CID 23499553
o-Methyl-n-(4-trifluoromethyl-benzyl)-hydroxylamine
CID 23499567
N-(2-aminoethoxy)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pent-1-en-1-amine
CID 54359408
N-(difluoromethoxy)-1-phenylmethanamine
CID 17887999
N-methoxy-3-(trifluoromethyl)aniline
CID 18667752
actinium;[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]azanide
CID 21343674
Actinium;1-[4-(trifluoromethyl)phenyl]ethenylazanide
CID 21343677

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine?
The IUPAC name of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine (CID 57099402) is 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine.
What is the SMILES notation for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine?
The canonical SMILES for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine is C=C(NOC)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine?
The InChIKey is JBKVHOKRYRXRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO/c1-6(15-16-2)7-3-4-8(9(11)5-7)10(12,13)14/h3-5,15H,1H2,2H3.
What are the key properties of 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine?
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine has a molecular weight of 235.18 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methoxyethenamine is sourced from PubChem (CID 57099402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).