(NE)-N-[(4Z,6E)-6-fluoroocta-4,6-dien-3-ylidene]hydroxylamine

C8H12FNO — CID 118667310

IUPAC(NE)-N-[(4Z,6E)-6-fluoroocta-4,6-dien-3-ylidene]hydroxylamine
SMILESC/C=C(F)\C=C/C(CC)=N/O
InChIInChI=1S/C8H12FNO/c1-3-7(9)5-6-8(4-2)10-11/h3,5-6,11H,4H2,1-2H3/b6-5-,7-3+,10-8+
InChIKeyPNGPULNLUPEGNW-RPRLLXEXSA-N
MW157.19 g/mol
LogP2.66
Rot. Bonds3

About (NE)-N-[(4Z,6E)-6-fluoroocta-4,6-dien-3-ylidene]hydroxylamine

(NE)-N-[(4Z,6E)-6-fluoroocta-4,6-dien-3-ylidene]hydroxylamine (PubChem CID 118667310) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is (NE)-N-[(4Z,6E)-6-fluoroocta-4,6-dien-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4Z,6E)-6-fluoroocta-4,6-dien-3-ylidene]hydroxylamine
PubChem CID118667310
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(NE)-N-[(4Z,6E)-6-fluoroocta-4,6-dien-3-ylidene]hydroxylamine
SMILESC/C=C(F)\C=C/C(CC)=N/O
InChIInChI=1S/C8H12FNO/c1-3-7(9)5-6-8(4-2)10-11/h3,5-6,11H,4H2,1-2H3/b6-5-,7-3+,10-8+
InChIKeyPNGPULNLUPEGNW-RPRLLXEXSA-N
XLogP2.66
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (NE)-N-[(4Z,6E)-6-fluoroocta-4,6-dien-3-ylidene]hydroxylamine 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 (NE)-N-[(4Z,6E)-6-fluoroocta-4,6-dien-3-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4Z,6E)-6-fluoroocta-4,6-dien-3-ylidene]hydroxylamine (CID 118667310) is (NE)-N-[(4Z,6E)-6-fluoroocta-4,6-dien-3-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4Z,6E)-6-fluoroocta-4,6-dien-3-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4Z,6E)-6-fluoroocta-4,6-dien-3-ylidene]hydroxylamine is C/C=C(F)\C=C/C(CC)=N/O.
What is the InChIKey of (NE)-N-[(4Z,6E)-6-fluoroocta-4,6-dien-3-ylidene]hydroxylamine?
The InChIKey is PNGPULNLUPEGNW-RPRLLXEXSA-N. The full InChI is InChI=1S/C8H12FNO/c1-3-7(9)5-6-8(4-2)10-11/h3,5-6,11H,4H2,1-2H3/b6-5-,7-3+,10-8+.
What are the key properties of (NE)-N-[(4Z,6E)-6-fluoroocta-4,6-dien-3-ylidene]hydroxylamine?
(NE)-N-[(4Z,6E)-6-fluoroocta-4,6-dien-3-ylidene]hydroxylamine has a molecular weight of 157.19 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4Z,6E)-6-fluoroocta-4,6-dien-3-ylidene]hydroxylamine is sourced from PubChem (CID 118667310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).