(E)-5,5-difluoro-4-iminohex-2-en-2-amine

C6H10F2N2 — CID 126727631

IUPAC(E)-5,5-difluoro-4-iminohex-2-en-2-amine
SMILES[H]/N=C(\C=C(/C)N)C(C)(F)F
InChIInChI=1S/C6H10F2N2/c1-4(9)3-5(10)6(2,7)8/h3,10H,9H2,1-2H3/b4-3+,10-5+
InChIKeyNSCCDGFDDCXLGA-COBAKMAKSA-N
MW148.16 g/mol
LogP1.52
Rot. Bonds2

About (E)-5,5-difluoro-4-iminohex-2-en-2-amine

(E)-5,5-difluoro-4-iminohex-2-en-2-amine (PubChem CID 126727631) has the molecular formula C6H10F2N2 and a molecular weight of 148.16 g/mol. Its IUPAC name is (E)-5,5-difluoro-4-iminohex-2-en-2-amine.

Molecular Properties

Compound Name(E)-5,5-difluoro-4-iminohex-2-en-2-amine
PubChem CID126727631
Molecular FormulaC6H10F2N2
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name(E)-5,5-difluoro-4-iminohex-2-en-2-amine
SMILES[H]/N=C(\C=C(/C)N)C(C)(F)F
InChIInChI=1S/C6H10F2N2/c1-4(9)3-5(10)6(2,7)8/h3,10H,9H2,1-2H3/b4-3+,10-5+
InChIKeyNSCCDGFDDCXLGA-COBAKMAKSA-N
XLogP1.52
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.52
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)-5,5-difluoro-4-iminohex-2-en-2-amine?
The IUPAC name of (E)-5,5-difluoro-4-iminohex-2-en-2-amine (CID 126727631) is (E)-5,5-difluoro-4-iminohex-2-en-2-amine.
What is the SMILES notation for (E)-5,5-difluoro-4-iminohex-2-en-2-amine?
The canonical SMILES for (E)-5,5-difluoro-4-iminohex-2-en-2-amine is [H]/N=C(\C=C(/C)N)C(C)(F)F.
What is the InChIKey of (E)-5,5-difluoro-4-iminohex-2-en-2-amine?
The InChIKey is NSCCDGFDDCXLGA-COBAKMAKSA-N. The full InChI is InChI=1S/C6H10F2N2/c1-4(9)3-5(10)6(2,7)8/h3,10H,9H2,1-2H3/b4-3+,10-5+.
What are the key properties of (E)-5,5-difluoro-4-iminohex-2-en-2-amine?
(E)-5,5-difluoro-4-iminohex-2-en-2-amine has a molecular weight of 148.16 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5-difluoro-4-iminohex-2-en-2-amine is sourced from PubChem (CID 126727631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).