(Z)-2-(2,2-difluoroethyliminomethyl)but-1-en-1-amine

C7H12F2N2 — CID 171087921

IUPAC(Z)-2-(2,2-difluoroethyliminomethyl)but-1-en-1-amine
SMILESCCC(=C/N)/C=N/CC(F)F
InChIInChI=1S/C7H12F2N2/c1-2-6(3-10)4-11-5-7(8)9/h3-4,7H,2,5,10H2,1H3/b6-3-,11-4+
InChIKeyFSPCDAZNGUBCEA-WVVGTSEZSA-N
MW162.18 g/mol
LogP1.57
Rot. Bonds4

About (Z)-2-(2,2-difluoroethyliminomethyl)but-1-en-1-amine

(Z)-2-(2,2-difluoroethyliminomethyl)but-1-en-1-amine (PubChem CID 171087921) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is (Z)-2-(2,2-difluoroethyliminomethyl)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(2,2-difluoroethyliminomethyl)but-1-en-1-amine
PubChem CID171087921
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name(Z)-2-(2,2-difluoroethyliminomethyl)but-1-en-1-amine
SMILESCCC(=C/N)/C=N/CC(F)F
InChIInChI=1S/C7H12F2N2/c1-2-6(3-10)4-11-5-7(8)9/h3-4,7H,2,5,10H2,1H3/b6-3-,11-4+
InChIKeyFSPCDAZNGUBCEA-WVVGTSEZSA-N
XLogP1.57
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 51.57
H-Bond Donors ≤ 51
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 (Z)-2-(2,2-difluoroethyliminomethyl)but-1-en-1-amine?
The IUPAC name of (Z)-2-(2,2-difluoroethyliminomethyl)but-1-en-1-amine (CID 171087921) is (Z)-2-(2,2-difluoroethyliminomethyl)but-1-en-1-amine.
What is the SMILES notation for (Z)-2-(2,2-difluoroethyliminomethyl)but-1-en-1-amine?
The canonical SMILES for (Z)-2-(2,2-difluoroethyliminomethyl)but-1-en-1-amine is CCC(=C/N)/C=N/CC(F)F.
What is the InChIKey of (Z)-2-(2,2-difluoroethyliminomethyl)but-1-en-1-amine?
The InChIKey is FSPCDAZNGUBCEA-WVVGTSEZSA-N. The full InChI is InChI=1S/C7H12F2N2/c1-2-6(3-10)4-11-5-7(8)9/h3-4,7H,2,5,10H2,1H3/b6-3-,11-4+.
What are the key properties of (Z)-2-(2,2-difluoroethyliminomethyl)but-1-en-1-amine?
(Z)-2-(2,2-difluoroethyliminomethyl)but-1-en-1-amine has a molecular weight of 162.18 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,2-difluoroethyliminomethyl)but-1-en-1-amine is sourced from PubChem (CID 171087921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).