(E)-8,8-difluoro-3-prop-2-enimidoylnon-3-en-1-amine

C12H20F2N2 — CID 166907355

IUPAC(E)-8,8-difluoro-3-prop-2-enimidoylnon-3-en-1-amine
SMILES[H]/N=C(C=C)/C(=C/CCCC(C)(F)F)CCN
InChIInChI=1S/C12H20F2N2/c1-3-11(16)10(7-9-15)6-4-5-8-12(2,13)14/h3,6,16H,1,4-5,7-9,15H2,2H3/b10-6+,16-11+
InChIKeyINJASCDLRZRVLI-IPASCASISA-N
MW230.30 g/mol
LogP3.29
Rot. Bonds8

About (E)-8,8-difluoro-3-prop-2-enimidoylnon-3-en-1-amine

(E)-8,8-difluoro-3-prop-2-enimidoylnon-3-en-1-amine (PubChem CID 166907355) has the molecular formula C12H20F2N2 and a molecular weight of 230.30 g/mol. Its IUPAC name is (E)-8,8-difluoro-3-prop-2-enimidoylnon-3-en-1-amine.

Molecular Properties

Compound Name(E)-8,8-difluoro-3-prop-2-enimidoylnon-3-en-1-amine
PubChem CID166907355
Molecular FormulaC12H20F2N2
Molecular Weight230.30 g/mol
Exact Mass230.16
IUPAC Name(E)-8,8-difluoro-3-prop-2-enimidoylnon-3-en-1-amine
SMILES[H]/N=C(C=C)/C(=C/CCCC(C)(F)F)CCN
InChIInChI=1S/C12H20F2N2/c1-3-11(16)10(7-9-15)6-4-5-8-12(2,13)14/h3,6,16H,1,4-5,7-9,15H2,2H3/b10-6+,16-11+
InChIKeyINJASCDLRZRVLI-IPASCASISA-N
XLogP3.29
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-8,8-difluoro-3-prop-2-enimidoylnon-3-en-1-amine?
The IUPAC name of (E)-8,8-difluoro-3-prop-2-enimidoylnon-3-en-1-amine (CID 166907355) is (E)-8,8-difluoro-3-prop-2-enimidoylnon-3-en-1-amine.
What is the SMILES notation for (E)-8,8-difluoro-3-prop-2-enimidoylnon-3-en-1-amine?
The canonical SMILES for (E)-8,8-difluoro-3-prop-2-enimidoylnon-3-en-1-amine is [H]/N=C(C=C)/C(=C/CCCC(C)(F)F)CCN.
What is the InChIKey of (E)-8,8-difluoro-3-prop-2-enimidoylnon-3-en-1-amine?
The InChIKey is INJASCDLRZRVLI-IPASCASISA-N. The full InChI is InChI=1S/C12H20F2N2/c1-3-11(16)10(7-9-15)6-4-5-8-12(2,13)14/h3,6,16H,1,4-5,7-9,15H2,2H3/b10-6+,16-11+.
What are the key properties of (E)-8,8-difluoro-3-prop-2-enimidoylnon-3-en-1-amine?
(E)-8,8-difluoro-3-prop-2-enimidoylnon-3-en-1-amine has a molecular weight of 230.30 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8,8-difluoro-3-prop-2-enimidoylnon-3-en-1-amine is sourced from PubChem (CID 166907355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).