N-methyl-N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine

C6H9F3N2 — CID 144826065

IUPACN-methyl-N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine
SMILESC=C/C(=N\N(C)C)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-4-5(6(7,8)9)10-11(2)3/h4H,1H2,2-3H3/b10-5+
InChIKeyZRGFVZFPHWJCAE-BJMVGYQFSA-N
MW166.15 g/mol
LogP1.65
Rot. Bonds2

About N-methyl-N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine

N-methyl-N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine (PubChem CID 144826065) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is N-methyl-N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine
PubChem CID144826065
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC NameN-methyl-N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine
SMILESC=C/C(=N\N(C)C)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-4-5(6(7,8)9)10-11(2)3/h4H,1H2,2-3H3/b10-5+
InChIKeyZRGFVZFPHWJCAE-BJMVGYQFSA-N
XLogP1.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.65
H-Bond Donors ≤ 50
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 N-methyl-N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine?
The IUPAC name of N-methyl-N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine (CID 144826065) is N-methyl-N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine is C=C/C(=N\N(C)C)C(F)(F)F.
What is the InChIKey of N-methyl-N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine?
The InChIKey is ZRGFVZFPHWJCAE-BJMVGYQFSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-4-5(6(7,8)9)10-11(2)3/h4H,1H2,2-3H3/b10-5+.
What are the key properties of N-methyl-N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine?
N-methyl-N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine has a molecular weight of 166.15 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine is sourced from PubChem (CID 144826065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).