(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine

C10H16FN — CID 123873008

IUPAC(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine
SMILES[H]/N=C(/C=C\C=C(/C)F)C(C)CC
InChIInChI=1S/C10H16FN/c1-4-8(2)10(12)7-5-6-9(3)11/h5-8,12H,4H2,1-3H3/b7-5-,9-6+,12-10-
InChIKeyPBWAKNBCKMLNAH-NOEWKQQOSA-N
MW169.24 g/mol
LogP3.48
Rot. Bonds4

About (5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine

(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine (PubChem CID 123873008) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine.

Molecular Properties

Compound Name(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine
PubChem CID123873008
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine
SMILES[H]/N=C(/C=C\C=C(/C)F)C(C)CC
InChIInChI=1S/C10H16FN/c1-4-8(2)10(12)7-5-6-9(3)11/h5-8,12H,4H2,1-3H3/b7-5-,9-6+,12-10-
InChIKeyPBWAKNBCKMLNAH-NOEWKQQOSA-N
XLogP3.48
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine?
The IUPAC name of (5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine (CID 123873008) is (5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine.
What is the SMILES notation for (5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine?
The canonical SMILES for (5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine is [H]/N=C(/C=C\C=C(/C)F)C(C)CC.
What is the InChIKey of (5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine?
The InChIKey is PBWAKNBCKMLNAH-NOEWKQQOSA-N. The full InChI is InChI=1S/C10H16FN/c1-4-8(2)10(12)7-5-6-9(3)11/h5-8,12H,4H2,1-3H3/b7-5-,9-6+,12-10-.
What are the key properties of (5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine?
(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine has a molecular weight of 169.24 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine is sourced from PubChem (CID 123873008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).