(Z)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]prop-1-en-1-amine

C6H9F3N2 — CID 142218917

IUPAC(Z)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]prop-1-en-1-amine
SMILESC/C=C\N/N=C(\C)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-3-4-10-11-5(2)6(7,8)9/h3-4,10H,1-2H3/b4-3-,11-5+
InChIKeyGUPGPIPVEQIJBG-LDTZZKCISA-N
MW166.15 g/mol
LogP2.05
Rot. Bonds2

About (Z)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]prop-1-en-1-amine

(Z)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]prop-1-en-1-amine (PubChem CID 142218917) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is (Z)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]prop-1-en-1-amine
PubChem CID142218917
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name(Z)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]prop-1-en-1-amine
SMILESC/C=C\N/N=C(\C)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-3-4-10-11-5(2)6(7,8)9/h3-4,10H,1-2H3/b4-3-,11-5+
InChIKeyGUPGPIPVEQIJBG-LDTZZKCISA-N
XLogP2.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]prop-1-en-1-amine?
The IUPAC name of (Z)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]prop-1-en-1-amine (CID 142218917) is (Z)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]prop-1-en-1-amine.
What is the SMILES notation for (Z)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]prop-1-en-1-amine?
The canonical SMILES for (Z)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]prop-1-en-1-amine is C/C=C\N/N=C(\C)C(F)(F)F.
What is the InChIKey of (Z)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]prop-1-en-1-amine?
The InChIKey is GUPGPIPVEQIJBG-LDTZZKCISA-N. The full InChI is InChI=1S/C6H9F3N2/c1-3-4-10-11-5(2)6(7,8)9/h3-4,10H,1-2H3/b4-3-,11-5+.
What are the key properties of (Z)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]prop-1-en-1-amine?
(Z)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]prop-1-en-1-amine has a molecular weight of 166.15 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]prop-1-en-1-amine is sourced from PubChem (CID 142218917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).