(Z)-7-ethyl-9-fluoro-6-methylnon-7-en-1-amine

C12H24FN — CID 166823962

IUPAC(Z)-7-ethyl-9-fluoro-6-methylnon-7-en-1-amine
SMILESCC/C(=C/CF)C(C)CCCCCN
InChIInChI=1S/C12H24FN/c1-3-12(8-9-13)11(2)7-5-4-6-10-14/h8,11H,3-7,9-10,14H2,1-2H3/b12-8-
InChIKeyCKPXOGUVIAGLTA-WQLSENKSSA-N
MW201.33 g/mol
LogP3.45
Rot. Bonds8

About (Z)-7-ethyl-9-fluoro-6-methylnon-7-en-1-amine

(Z)-7-ethyl-9-fluoro-6-methylnon-7-en-1-amine (PubChem CID 166823962) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is (Z)-7-ethyl-9-fluoro-6-methylnon-7-en-1-amine.

Molecular Properties

Compound Name(Z)-7-ethyl-9-fluoro-6-methylnon-7-en-1-amine
PubChem CID166823962
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name(Z)-7-ethyl-9-fluoro-6-methylnon-7-en-1-amine
SMILESCC/C(=C/CF)C(C)CCCCCN
InChIInChI=1S/C12H24FN/c1-3-12(8-9-13)11(2)7-5-4-6-10-14/h8,11H,3-7,9-10,14H2,1-2H3/b12-8-
InChIKeyCKPXOGUVIAGLTA-WQLSENKSSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-ethyl-9-fluoro-6-methylnon-7-en-1-amine?
The IUPAC name of (Z)-7-ethyl-9-fluoro-6-methylnon-7-en-1-amine (CID 166823962) is (Z)-7-ethyl-9-fluoro-6-methylnon-7-en-1-amine.
What is the SMILES notation for (Z)-7-ethyl-9-fluoro-6-methylnon-7-en-1-amine?
The canonical SMILES for (Z)-7-ethyl-9-fluoro-6-methylnon-7-en-1-amine is CC/C(=C/CF)C(C)CCCCCN.
What is the InChIKey of (Z)-7-ethyl-9-fluoro-6-methylnon-7-en-1-amine?
The InChIKey is CKPXOGUVIAGLTA-WQLSENKSSA-N. The full InChI is InChI=1S/C12H24FN/c1-3-12(8-9-13)11(2)7-5-4-6-10-14/h8,11H,3-7,9-10,14H2,1-2H3/b12-8-.
What are the key properties of (Z)-7-ethyl-9-fluoro-6-methylnon-7-en-1-amine?
(Z)-7-ethyl-9-fluoro-6-methylnon-7-en-1-amine has a molecular weight of 201.33 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-ethyl-9-fluoro-6-methylnon-7-en-1-amine is sourced from PubChem (CID 166823962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).