(E)-8,8,9,9,9-pentafluoro-N-methylnon-4-en-1-amine

C10H16F5N — CID 25215699

IUPAC(E)-8,8,9,9,9-pentafluoro-N-methylnon-4-en-1-amine
SMILESCNCCC/C=C/CCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H16F5N/c1-16-8-6-4-2-3-5-7-9(11,12)10(13,14)15/h2-3,16H,4-8H2,1H3/b3-2+
InChIKeyZGKJKUWTLBHMQL-NSCUHMNNSA-N
MW245.23 g/mol
LogP3.52
Rot. Bonds7

About (E)-8,8,9,9,9-pentafluoro-N-methylnon-4-en-1-amine

(E)-8,8,9,9,9-pentafluoro-N-methylnon-4-en-1-amine (PubChem CID 25215699) has the molecular formula C10H16F5N and a molecular weight of 245.23 g/mol. Its IUPAC name is (E)-8,8,9,9,9-pentafluoro-N-methylnon-4-en-1-amine.

Molecular Properties

Compound Name(E)-8,8,9,9,9-pentafluoro-N-methylnon-4-en-1-amine
PubChem CID25215699
Molecular FormulaC10H16F5N
Molecular Weight245.23 g/mol
Exact Mass245.12
IUPAC Name(E)-8,8,9,9,9-pentafluoro-N-methylnon-4-en-1-amine
SMILESCNCCC/C=C/CCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H16F5N/c1-16-8-6-4-2-3-5-7-9(11,12)10(13,14)15/h2-3,16H,4-8H2,1H3/b3-2+
InChIKeyZGKJKUWTLBHMQL-NSCUHMNNSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.52
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (E)-8,8,9,9,9-pentafluoro-N-methylnon-4-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-8,8,9,9,9-pentafluoro-N-methylnon-4-en-1-amine?
The IUPAC name of (E)-8,8,9,9,9-pentafluoro-N-methylnon-4-en-1-amine (CID 25215699) is (E)-8,8,9,9,9-pentafluoro-N-methylnon-4-en-1-amine.
What is the SMILES notation for (E)-8,8,9,9,9-pentafluoro-N-methylnon-4-en-1-amine?
The canonical SMILES for (E)-8,8,9,9,9-pentafluoro-N-methylnon-4-en-1-amine is CNCCC/C=C/CCC(F)(F)C(F)(F)F.
What is the InChIKey of (E)-8,8,9,9,9-pentafluoro-N-methylnon-4-en-1-amine?
The InChIKey is ZGKJKUWTLBHMQL-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H16F5N/c1-16-8-6-4-2-3-5-7-9(11,12)10(13,14)15/h2-3,16H,4-8H2,1H3/b3-2+.
What are the key properties of (E)-8,8,9,9,9-pentafluoro-N-methylnon-4-en-1-amine?
(E)-8,8,9,9,9-pentafluoro-N-methylnon-4-en-1-amine has a molecular weight of 245.23 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8,8,9,9,9-pentafluoro-N-methylnon-4-en-1-amine is sourced from PubChem (CID 25215699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).