N-[(5Z,7Z)-6-fluoronona-5,7-dien-4-yl]acetamide

C11H18FNO — CID 138564543

IUPACN-[(5Z,7Z)-6-fluoronona-5,7-dien-4-yl]acetamide
SMILESC/C=C\C(F)=C\C(CCC)NC(C)=O
InChIInChI=1S/C11H18FNO/c1-4-6-10(12)8-11(7-5-2)13-9(3)14/h4,6,8,11H,5,7H2,1-3H3,(H,13,14)/b6-4-,10-8-
InChIKeyMDSMZXBASJYCTA-GKXDXITGSA-N
MW199.27 g/mol
LogP2.72
Rot. Bonds5

About N-[(5Z,7Z)-6-fluoronona-5,7-dien-4-yl]acetamide

N-[(5Z,7Z)-6-fluoronona-5,7-dien-4-yl]acetamide (PubChem CID 138564543) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is N-[(5Z,7Z)-6-fluoronona-5,7-dien-4-yl]acetamide.

Molecular Properties

Compound NameN-[(5Z,7Z)-6-fluoronona-5,7-dien-4-yl]acetamide
PubChem CID138564543
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC NameN-[(5Z,7Z)-6-fluoronona-5,7-dien-4-yl]acetamide
SMILESC/C=C\C(F)=C\C(CCC)NC(C)=O
InChIInChI=1S/C11H18FNO/c1-4-6-10(12)8-11(7-5-2)13-9(3)14/h4,6,8,11H,5,7H2,1-3H3,(H,13,14)/b6-4-,10-8-
InChIKeyMDSMZXBASJYCTA-GKXDXITGSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(5Z,7Z)-6-fluoronona-5,7-dien-4-yl]acetamide 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 N-[(5Z,7Z)-6-fluoronona-5,7-dien-4-yl]acetamide?
The IUPAC name of N-[(5Z,7Z)-6-fluoronona-5,7-dien-4-yl]acetamide (CID 138564543) is N-[(5Z,7Z)-6-fluoronona-5,7-dien-4-yl]acetamide.
What is the SMILES notation for N-[(5Z,7Z)-6-fluoronona-5,7-dien-4-yl]acetamide?
The canonical SMILES for N-[(5Z,7Z)-6-fluoronona-5,7-dien-4-yl]acetamide is C/C=C\C(F)=C\C(CCC)NC(C)=O.
What is the InChIKey of N-[(5Z,7Z)-6-fluoronona-5,7-dien-4-yl]acetamide?
The InChIKey is MDSMZXBASJYCTA-GKXDXITGSA-N. The full InChI is InChI=1S/C11H18FNO/c1-4-6-10(12)8-11(7-5-2)13-9(3)14/h4,6,8,11H,5,7H2,1-3H3,(H,13,14)/b6-4-,10-8-.
What are the key properties of N-[(5Z,7Z)-6-fluoronona-5,7-dien-4-yl]acetamide?
N-[(5Z,7Z)-6-fluoronona-5,7-dien-4-yl]acetamide has a molecular weight of 199.27 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z,7Z)-6-fluoronona-5,7-dien-4-yl]acetamide is sourced from PubChem (CID 138564543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).