N-amino-2,2,2-trifluoro-N-[(Z)-2-methylprop-2-enylideneamino]ethanamine

C6H10F3N3 — CID 172941752

IUPACN-amino-2,2,2-trifluoro-N-[(Z)-2-methylprop-2-enylideneamino]ethanamine
SMILESC=C(C)/C=N\N(N)CC(F)(F)F
InChIInChI=1S/C6H10F3N3/c1-5(2)3-11-12(10)4-6(7,8)9/h3H,1,4,10H2,2H3/b11-3-
InChIKeyQOKUYQPIDDSCHZ-JYOAFUTRSA-N
MW181.16 g/mol
LogP1.29
Rot. Bonds3

About N-amino-2,2,2-trifluoro-N-[(Z)-2-methylprop-2-enylideneamino]ethanamine

N-amino-2,2,2-trifluoro-N-[(Z)-2-methylprop-2-enylideneamino]ethanamine (PubChem CID 172941752) has the molecular formula C6H10F3N3 and a molecular weight of 181.16 g/mol. Its IUPAC name is N-amino-2,2,2-trifluoro-N-[(Z)-2-methylprop-2-enylideneamino]ethanamine.

Molecular Properties

Compound NameN-amino-2,2,2-trifluoro-N-[(Z)-2-methylprop-2-enylideneamino]ethanamine
PubChem CID172941752
Molecular FormulaC6H10F3N3
Molecular Weight181.16 g/mol
Exact Mass181.08
IUPAC NameN-amino-2,2,2-trifluoro-N-[(Z)-2-methylprop-2-enylideneamino]ethanamine
SMILESC=C(C)/C=N\N(N)CC(F)(F)F
InChIInChI=1S/C6H10F3N3/c1-5(2)3-11-12(10)4-6(7,8)9/h3H,1,4,10H2,2H3/b11-3-
InChIKeyQOKUYQPIDDSCHZ-JYOAFUTRSA-N
XLogP1.29
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-amino-2,2,2-trifluoro-N-[(Z)-2-methylprop-2-enylideneamino]ethanamine?
The IUPAC name of N-amino-2,2,2-trifluoro-N-[(Z)-2-methylprop-2-enylideneamino]ethanamine (CID 172941752) is N-amino-2,2,2-trifluoro-N-[(Z)-2-methylprop-2-enylideneamino]ethanamine.
What is the SMILES notation for N-amino-2,2,2-trifluoro-N-[(Z)-2-methylprop-2-enylideneamino]ethanamine?
The canonical SMILES for N-amino-2,2,2-trifluoro-N-[(Z)-2-methylprop-2-enylideneamino]ethanamine is C=C(C)/C=N\N(N)CC(F)(F)F.
What is the InChIKey of N-amino-2,2,2-trifluoro-N-[(Z)-2-methylprop-2-enylideneamino]ethanamine?
The InChIKey is QOKUYQPIDDSCHZ-JYOAFUTRSA-N. The full InChI is InChI=1S/C6H10F3N3/c1-5(2)3-11-12(10)4-6(7,8)9/h3H,1,4,10H2,2H3/b11-3-.
What are the key properties of N-amino-2,2,2-trifluoro-N-[(Z)-2-methylprop-2-enylideneamino]ethanamine?
N-amino-2,2,2-trifluoro-N-[(Z)-2-methylprop-2-enylideneamino]ethanamine has a molecular weight of 181.16 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2,2,2-trifluoro-N-[(Z)-2-methylprop-2-enylideneamino]ethanamine is sourced from PubChem (CID 172941752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).