(E)-3,3-difluoro-2-methanimidoylprop-1-en-1-amine

C4H6F2N2 — CID 170964623

IUPAC(E)-3,3-difluoro-2-methanimidoylprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C(F)F
InChIInChI=1S/C4H6F2N2/c5-4(6)3(1-7)2-8/h1-2,4,7H,8H2/b3-2+,7-1+
InChIKeyBORVGZNCLCCMHP-JRHKPWRGSA-N
MW120.10 g/mol
LogP0.74
Rot. Bonds2

About (E)-3,3-difluoro-2-methanimidoylprop-1-en-1-amine

(E)-3,3-difluoro-2-methanimidoylprop-1-en-1-amine (PubChem CID 170964623) has the molecular formula C4H6F2N2 and a molecular weight of 120.10 g/mol. Its IUPAC name is (E)-3,3-difluoro-2-methanimidoylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3,3-difluoro-2-methanimidoylprop-1-en-1-amine
PubChem CID170964623
Molecular FormulaC4H6F2N2
Molecular Weight120.10 g/mol
Exact Mass120.05
IUPAC Name(E)-3,3-difluoro-2-methanimidoylprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C(F)F
InChIInChI=1S/C4H6F2N2/c5-4(6)3(1-7)2-8/h1-2,4,7H,8H2/b3-2+,7-1+
InChIKeyBORVGZNCLCCMHP-JRHKPWRGSA-N
XLogP0.74
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 50.74
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 (E)-3,3-difluoro-2-methanimidoylprop-1-en-1-amine?
The IUPAC name of (E)-3,3-difluoro-2-methanimidoylprop-1-en-1-amine (CID 170964623) is (E)-3,3-difluoro-2-methanimidoylprop-1-en-1-amine.
What is the SMILES notation for (E)-3,3-difluoro-2-methanimidoylprop-1-en-1-amine?
The canonical SMILES for (E)-3,3-difluoro-2-methanimidoylprop-1-en-1-amine is [H]/N=C/C(=C\N)C(F)F.
What is the InChIKey of (E)-3,3-difluoro-2-methanimidoylprop-1-en-1-amine?
The InChIKey is BORVGZNCLCCMHP-JRHKPWRGSA-N. The full InChI is InChI=1S/C4H6F2N2/c5-4(6)3(1-7)2-8/h1-2,4,7H,8H2/b3-2+,7-1+.
What are the key properties of (E)-3,3-difluoro-2-methanimidoylprop-1-en-1-amine?
(E)-3,3-difluoro-2-methanimidoylprop-1-en-1-amine has a molecular weight of 120.10 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3-difluoro-2-methanimidoylprop-1-en-1-amine is sourced from PubChem (CID 170964623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).