(E)-5-[(Z)-2-fluoroethenyl]oct-5-en-4-amine

C10H18FN — CID 174064247

IUPAC(E)-5-[(Z)-2-fluoroethenyl]oct-5-en-4-amine
SMILESCC/C=C(\C=C/F)C(N)CCC
InChIInChI=1S/C10H18FN/c1-3-5-9(7-8-11)10(12)6-4-2/h5,7-8,10H,3-4,6,12H2,1-2H3/b8-7-,9-5+
InChIKeyDXZBFCWXCITBRA-ISXYNVPDSA-N
MW171.26 g/mol
LogP2.93
Rot. Bonds5

About (E)-5-[(Z)-2-fluoroethenyl]oct-5-en-4-amine

(E)-5-[(Z)-2-fluoroethenyl]oct-5-en-4-amine (PubChem CID 174064247) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (E)-5-[(Z)-2-fluoroethenyl]oct-5-en-4-amine.

Molecular Properties

Compound Name(E)-5-[(Z)-2-fluoroethenyl]oct-5-en-4-amine
PubChem CID174064247
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(E)-5-[(Z)-2-fluoroethenyl]oct-5-en-4-amine
SMILESCC/C=C(\C=C/F)C(N)CCC
InChIInChI=1S/C10H18FN/c1-3-5-9(7-8-11)10(12)6-4-2/h5,7-8,10H,3-4,6,12H2,1-2H3/b8-7-,9-5+
InChIKeyDXZBFCWXCITBRA-ISXYNVPDSA-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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-[(Z)-2-fluoroethenyl]oct-5-en-4-amine?
The IUPAC name of (E)-5-[(Z)-2-fluoroethenyl]oct-5-en-4-amine (CID 174064247) is (E)-5-[(Z)-2-fluoroethenyl]oct-5-en-4-amine.
What is the SMILES notation for (E)-5-[(Z)-2-fluoroethenyl]oct-5-en-4-amine?
The canonical SMILES for (E)-5-[(Z)-2-fluoroethenyl]oct-5-en-4-amine is CC/C=C(\C=C/F)C(N)CCC.
What is the InChIKey of (E)-5-[(Z)-2-fluoroethenyl]oct-5-en-4-amine?
The InChIKey is DXZBFCWXCITBRA-ISXYNVPDSA-N. The full InChI is InChI=1S/C10H18FN/c1-3-5-9(7-8-11)10(12)6-4-2/h5,7-8,10H,3-4,6,12H2,1-2H3/b8-7-,9-5+.
What are the key properties of (E)-5-[(Z)-2-fluoroethenyl]oct-5-en-4-amine?
(E)-5-[(Z)-2-fluoroethenyl]oct-5-en-4-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 (E)-5-[(Z)-2-fluoroethenyl]oct-5-en-4-amine is sourced from PubChem (CID 174064247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).