3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine

C10H9F4NO — CID 57025597

IUPAC3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
SMILESCONC(=CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C10H9F4NO/c1-16-15-9(6-10(12,13)14)7-2-4-8(11)5-3-7/h2-6,15H,1H3
InChIKeyMYDQPOHNOVINAO-UHFFFAOYSA-N
MW235.18 g/mol
LogP2.88
Rot. Bonds3

About 3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine

3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine (PubChem CID 57025597) has the molecular formula C10H9F4NO and a molecular weight of 235.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
PubChem CID57025597
Molecular FormulaC10H9F4NO
Molecular Weight235.18 g/mol
Exact Mass235.06
IUPAC Name3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine
SMILESCONC(=CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C10H9F4NO/c1-16-15-9(6-10(12,13)14)7-2-4-8(11)5-3-7/h2-6,15H,1H3
InChIKeyMYDQPOHNOVINAO-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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
Ethoxy[(4-fluorophenyl)methyl]amine
CID 12146891
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-[difluoro-(2,3,4-trifluorophenyl)methyl]hydroxylamine
CID 54520746
1-fluoro-4-[(E)-1-nitroprop-1-enyl]benzene
CID 135078988
Phenyloxazine
CID 53643691
Amino-phenylpropene
CID 69723665

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine (CID 57025597) is 3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine is CONC(=CC(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of 3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine?
The InChIKey is MYDQPOHNOVINAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO/c1-16-15-9(6-10(12,13)14)7-2-4-8(11)5-3-7/h2-6,15H,1H3.
What are the key properties of 3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine?
3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine has a molecular weight of 235.18 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(4-fluorophenyl)-N-methoxyprop-1-en-1-amine is sourced from PubChem (CID 57025597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).