(Z,5E)-1-amino-3-ethyl-5-ethylidene-8-fluoronon-6-en-4-one

C13H22FNO — CID 153392420

IUPAC(Z,5E)-1-amino-3-ethyl-5-ethylidene-8-fluoronon-6-en-4-one
SMILESC/C=C(\C=C/C(C)F)C(=O)C(CC)CCN
InChIInChI=1S/C13H22FNO/c1-4-11(7-6-10(3)14)13(16)12(5-2)8-9-15/h4,6-7,10,12H,5,8-9,15H2,1-3H3/b7-6-,11-4+
InChIKeyGUFOTSMKRNXVHA-BJNIYONUSA-N
MW227.32 g/mol
LogP2.79
Rot. Bonds7

About (Z,5E)-1-amino-3-ethyl-5-ethylidene-8-fluoronon-6-en-4-one

(Z,5E)-1-amino-3-ethyl-5-ethylidene-8-fluoronon-6-en-4-one (PubChem CID 153392420) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is (Z,5E)-1-amino-3-ethyl-5-ethylidene-8-fluoronon-6-en-4-one.

Molecular Properties

Compound Name(Z,5E)-1-amino-3-ethyl-5-ethylidene-8-fluoronon-6-en-4-one
PubChem CID153392420
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name(Z,5E)-1-amino-3-ethyl-5-ethylidene-8-fluoronon-6-en-4-one
SMILESC/C=C(\C=C/C(C)F)C(=O)C(CC)CCN
InChIInChI=1S/C13H22FNO/c1-4-11(7-6-10(3)14)13(16)12(5-2)8-9-15/h4,6-7,10,12H,5,8-9,15H2,1-3H3/b7-6-,11-4+
InChIKeyGUFOTSMKRNXVHA-BJNIYONUSA-N
XLogP2.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z,5E)-1-amino-3-ethyl-5-ethylidene-8-fluoronon-6-en-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z,5E)-1-amino-3-ethyl-5-ethylidene-8-fluoronon-6-en-4-one?
The IUPAC name of (Z,5E)-1-amino-3-ethyl-5-ethylidene-8-fluoronon-6-en-4-one (CID 153392420) is (Z,5E)-1-amino-3-ethyl-5-ethylidene-8-fluoronon-6-en-4-one.
What is the SMILES notation for (Z,5E)-1-amino-3-ethyl-5-ethylidene-8-fluoronon-6-en-4-one?
The canonical SMILES for (Z,5E)-1-amino-3-ethyl-5-ethylidene-8-fluoronon-6-en-4-one is C/C=C(\C=C/C(C)F)C(=O)C(CC)CCN.
What is the InChIKey of (Z,5E)-1-amino-3-ethyl-5-ethylidene-8-fluoronon-6-en-4-one?
The InChIKey is GUFOTSMKRNXVHA-BJNIYONUSA-N. The full InChI is InChI=1S/C13H22FNO/c1-4-11(7-6-10(3)14)13(16)12(5-2)8-9-15/h4,6-7,10,12H,5,8-9,15H2,1-3H3/b7-6-,11-4+.
What are the key properties of (Z,5E)-1-amino-3-ethyl-5-ethylidene-8-fluoronon-6-en-4-one?
(Z,5E)-1-amino-3-ethyl-5-ethylidene-8-fluoronon-6-en-4-one has a molecular weight of 227.32 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5E)-1-amino-3-ethyl-5-ethylidene-8-fluoronon-6-en-4-one is sourced from PubChem (CID 153392420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).