N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]acetamide

C9H12FNO — CID 154656212

IUPACN-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]acetamide
SMILESC=C(F)/C=C\C(=C)CNC(C)=O
InChIInChI=1S/C9H12FNO/c1-7(4-5-8(2)10)6-11-9(3)12/h4-5H,1-2,6H2,3H3,(H,11,12)/b5-4-
InChIKeyCKUHXTFPQAHWRF-PLNGDYQASA-N
MW169.20 g/mol
LogP1.72
Rot. Bonds4

About N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]acetamide

N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]acetamide (PubChem CID 154656212) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]acetamide.

Molecular Properties

Compound NameN-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]acetamide
PubChem CID154656212
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC NameN-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]acetamide
SMILESC=C(F)/C=C\C(=C)CNC(C)=O
InChIInChI=1S/C9H12FNO/c1-7(4-5-8(2)10)6-11-9(3)12/h4-5H,1-2,6H2,3H3,(H,11,12)/b5-4-
InChIKeyCKUHXTFPQAHWRF-PLNGDYQASA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dehydro-gamma-sanshool
CID 5316465
(Acetamidomethyl)cyclopentadiene
CID 13311389
2,2,2-trifluoro-N-[(2R,3E,5E)-2-methylocta-3,5-dien-7-ynyl]acetamide
CID 10900465
2,2,2-trifluoro-N-[(E)-4-methylpent-2-enyl]acetamide
CID 22418689
2,2,2-trifluoro-N-(4-methylpent-2-enyl)acetamide
CID 54345745
(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
N-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 89073501
N-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]acetamide
CID 89073525
N-(3,5-difluorocyclohexa-2,4-dien-1-yl)acetamide
CID 89073531
N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 89073535
N-(3,6-difluorocyclohexa-2,4-dien-1-yl)acetamide
CID 89073584

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]acetamide?
The IUPAC name of N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]acetamide (CID 154656212) is N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]acetamide.
What is the SMILES notation for N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]acetamide?
The canonical SMILES for N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]acetamide is C=C(F)/C=C\C(=C)CNC(C)=O.
What is the InChIKey of N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]acetamide?
The InChIKey is CKUHXTFPQAHWRF-PLNGDYQASA-N. The full InChI is InChI=1S/C9H12FNO/c1-7(4-5-8(2)10)6-11-9(3)12/h4-5H,1-2,6H2,3H3,(H,11,12)/b5-4-.
What are the key properties of N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]acetamide?
N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]acetamide has a molecular weight of 169.20 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]acetamide is sourced from PubChem (CID 154656212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).