(Z,5E)-5-(1-fluoroethylidene)oct-6-en-1-amine

C10H18FN — CID 134389865

IUPAC(Z,5E)-5-(1-fluoroethylidene)oct-6-en-1-amine
SMILESC/C=C\C(CCCCN)=C(/C)F
InChIInChI=1S/C10H18FN/c1-3-6-10(9(2)11)7-4-5-8-12/h3,6H,4-5,7-8,12H2,1-2H3/b6-3-,10-9-
InChIKeyLNJKMRIREBPTBU-IBFADVMYSA-N
MW171.26 g/mol
LogP2.93
Rot. Bonds5

About (Z,5E)-5-(1-fluoroethylidene)oct-6-en-1-amine

(Z,5E)-5-(1-fluoroethylidene)oct-6-en-1-amine (PubChem CID 134389865) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (Z,5E)-5-(1-fluoroethylidene)oct-6-en-1-amine.

Molecular Properties

Compound Name(Z,5E)-5-(1-fluoroethylidene)oct-6-en-1-amine
PubChem CID134389865
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(Z,5E)-5-(1-fluoroethylidene)oct-6-en-1-amine
SMILESC/C=C\C(CCCCN)=C(/C)F
InChIInChI=1S/C10H18FN/c1-3-6-10(9(2)11)7-4-5-8-12/h3,6H,4-5,7-8,12H2,1-2H3/b6-3-,10-9-
InChIKeyLNJKMRIREBPTBU-IBFADVMYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,5E)-5-(1-fluoroethylidene)oct-6-en-1-amine?
The IUPAC name of (Z,5E)-5-(1-fluoroethylidene)oct-6-en-1-amine (CID 134389865) is (Z,5E)-5-(1-fluoroethylidene)oct-6-en-1-amine.
What is the SMILES notation for (Z,5E)-5-(1-fluoroethylidene)oct-6-en-1-amine?
The canonical SMILES for (Z,5E)-5-(1-fluoroethylidene)oct-6-en-1-amine is C/C=C\C(CCCCN)=C(/C)F.
What is the InChIKey of (Z,5E)-5-(1-fluoroethylidene)oct-6-en-1-amine?
The InChIKey is LNJKMRIREBPTBU-IBFADVMYSA-N. The full InChI is InChI=1S/C10H18FN/c1-3-6-10(9(2)11)7-4-5-8-12/h3,6H,4-5,7-8,12H2,1-2H3/b6-3-,10-9-.
What are the key properties of (Z,5E)-5-(1-fluoroethylidene)oct-6-en-1-amine?
(Z,5E)-5-(1-fluoroethylidene)oct-6-en-1-amine has a molecular weight of 171.26 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5E)-5-(1-fluoroethylidene)oct-6-en-1-amine is sourced from PubChem (CID 134389865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).