1,1,1-trifluoro-4-iminobut-2-en-2-amine

C4H5F3N2 — CID 149125687

IUPAC1,1,1-trifluoro-4-iminobut-2-en-2-amine
SMILES[H]/N=C/C=C(N)C(F)(F)F
InChIInChI=1S/C4H5F3N2/c5-4(6,7)3(9)1-2-8/h1-2,8H,9H2/b3-1?,8-2+
InChIKeyWFLHAYPDPLTRJG-RLDWUIMGSA-N
MW138.09 g/mol
LogP1.04
Rot. Bonds1

About 1,1,1-trifluoro-4-iminobut-2-en-2-amine

1,1,1-trifluoro-4-iminobut-2-en-2-amine (PubChem CID 149125687) has the molecular formula C4H5F3N2 and a molecular weight of 138.09 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-iminobut-2-en-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-4-iminobut-2-en-2-amine
PubChem CID149125687
Molecular FormulaC4H5F3N2
Molecular Weight138.09 g/mol
Exact Mass138.04
IUPAC Name1,1,1-trifluoro-4-iminobut-2-en-2-amine
SMILES[H]/N=C/C=C(N)C(F)(F)F
InChIInChI=1S/C4H5F3N2/c5-4(6,7)3(9)1-2-8/h1-2,8H,9H2/b3-1?,8-2+
InChIKeyWFLHAYPDPLTRJG-RLDWUIMGSA-N
XLogP1.04
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.09
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-iminobut-2-en-2-amine?
The IUPAC name of 1,1,1-trifluoro-4-iminobut-2-en-2-amine (CID 149125687) is 1,1,1-trifluoro-4-iminobut-2-en-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-4-iminobut-2-en-2-amine?
The canonical SMILES for 1,1,1-trifluoro-4-iminobut-2-en-2-amine is [H]/N=C/C=C(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-iminobut-2-en-2-amine?
The InChIKey is WFLHAYPDPLTRJG-RLDWUIMGSA-N. The full InChI is InChI=1S/C4H5F3N2/c5-4(6,7)3(9)1-2-8/h1-2,8H,9H2/b3-1?,8-2+.
What are the key properties of 1,1,1-trifluoro-4-iminobut-2-en-2-amine?
1,1,1-trifluoro-4-iminobut-2-en-2-amine has a molecular weight of 138.09 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-iminobut-2-en-2-amine is sourced from PubChem (CID 149125687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).