3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide

C13H20FNO — CID 123441843

IUPAC3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide
SMILESC=C(C)C(C(=O)NC(C)C)=C(F)C=CCC
InChIInChI=1S/C13H20FNO/c1-6-7-8-11(14)12(9(2)3)13(16)15-10(4)5/h7-8,10H,2,6H2,1,3-5H3,(H,15,16)
InChIKeySZSUKAUYIHHCFT-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.28
Rot. Bonds5

About 3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide

3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide (PubChem CID 123441843) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide.

Molecular Properties

Compound Name3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide
PubChem CID123441843
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide
SMILESC=C(C)C(C(=O)NC(C)C)=C(F)C=CCC
InChIInChI=1S/C13H20FNO/c1-6-7-8-11(14)12(9(2)3)13(16)15-10(4)5/h7-8,10H,2,6H2,1,3-5H3,(H,15,16)
InChIKeySZSUKAUYIHHCFT-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4E,8E)-N-butan-2-yldeca-2,4,8-trienamide
CID 6433895
(2E,4E)-5,9-dimethyl-N-propan-2-yldeca-2,4,8-trienamide
CID 44561467
Sarmentosamide
CID 139584912
N-[(E)-4-amino-5-fluoropent-2-enyl]butanamide
CID 20466292
N-(4-amino-5-fluoropent-2-enyl)butanamide
CID 54168315
N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide
CID 70261540
(2E,4E)-2-ethenyl-5-methyl-N-(2,2,2-trifluoroethyl)hepta-2,4-dienamide
CID 88889292
N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]acetamide
CID 88935026
4-ethenyl-3-[(Z)-3-fluoroprop-1-enyl]-1,2-dihydropyrrol-5-one
CID 89344172
N-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide
CID 121322277
3-fluoro-2-(1-fluoroethyl)-N-prop-2-enylbut-2-enamide
CID 123599480
N-(2-fluorocyclopropyl)-5-methyl-2-methylidenenona-3,7-dienamide
CID 123659516

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide?
The IUPAC name of 3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide (CID 123441843) is 3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide.
What is the SMILES notation for 3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide?
The canonical SMILES for 3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide is C=C(C)C(C(=O)NC(C)C)=C(F)C=CCC.
What is the InChIKey of 3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide?
The InChIKey is SZSUKAUYIHHCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-6-7-8-11(14)12(9(2)3)13(16)15-10(4)5/h7-8,10H,2,6H2,1,3-5H3,(H,15,16).
What are the key properties of 3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide?
3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide has a molecular weight of 225.31 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-propan-2-yl-2-prop-1-en-2-ylhepta-2,4-dienamide is sourced from PubChem (CID 123441843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).