1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine

C10H10F3NO — CID 90980629

IUPAC1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine
SMILESC=C(NOCC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H10F3NO/c1-8(9-5-3-2-4-6-9)14-15-7-10(11,12)13/h2-6,14H,1,7H2
InChIKeyHLDYHLNRZMPAPY-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.74
Rot. Bonds4

About 1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine

1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine (PubChem CID 90980629) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine.

Molecular Properties

Compound Name1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine
PubChem CID90980629
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine
SMILESC=C(NOCC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H10F3NO/c1-8(9-5-3-2-4-6-9)14-15-7-10(11,12)13/h2-6,14H,1,7H2
InChIKeyHLDYHLNRZMPAPY-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.74
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

Benzyl(ethoxy)amine
CID 18794272
n-(3,4-Difluoro-benzyl)-o-methyl-hydroxylamine
CID 12146889
Ethoxy[(4-fluorophenyl)methyl]amine
CID 12146891
2,4-Difluoro-N-methoxybenzenemethanamine
CID 21947410
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
Benzenemethanamine, N-(2-propen-1-yloxy)-
CID 10997373
Phenyloxazine
CID 53643691
1-phenyl-N-propoxymethanamine
CID 53895948
(Z)-4-amino-1,1,1-trifluoro-4-phenylbut-3-en-2-one
CID 5372882
3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 5056306
1-phenyl-N-(trifluoromethoxy)methanamine
CID 17887996

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine?
The IUPAC name of 1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine (CID 90980629) is 1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine.
What is the SMILES notation for 1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine?
The canonical SMILES for 1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine is C=C(NOCC(F)(F)F)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine?
The InChIKey is HLDYHLNRZMPAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-8(9-5-3-2-4-6-9)14-15-7-10(11,12)13/h2-6,14H,1,7H2.
What are the key properties of 1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine?
1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine has a molecular weight of 217.19 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2,2,2-trifluoroethoxy)ethenamine is sourced from PubChem (CID 90980629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).