5-buta-1,3-dien-2-yl-2-fluorobenzamide

C11H10FNO — CID 123226299

IUPAC5-buta-1,3-dien-2-yl-2-fluorobenzamide
SMILESC=CC(=C)c1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C11H10FNO/c1-3-7(2)8-4-5-10(12)9(6-8)11(13)14/h3-6H,1-2H2,(H2,13,14)
InChIKeyXNNCRMWZZBSGRJ-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.12
Rot. Bonds3

About 5-buta-1,3-dien-2-yl-2-fluorobenzamide

5-buta-1,3-dien-2-yl-2-fluorobenzamide (PubChem CID 123226299) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 5-buta-1,3-dien-2-yl-2-fluorobenzamide.

Molecular Properties

Compound Name5-buta-1,3-dien-2-yl-2-fluorobenzamide
PubChem CID123226299
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name5-buta-1,3-dien-2-yl-2-fluorobenzamide
SMILESC=CC(=C)c1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C11H10FNO/c1-3-7(2)8-4-5-10(12)9(6-8)11(13)14/h3-6H,1-2H2,(H2,13,14)
InChIKeyXNNCRMWZZBSGRJ-UHFFFAOYSA-N
XLogP2.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.12
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

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CID 143472419
2-fluoro-5-hydroxybenzamide
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2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide
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1-buta-1,3-dien-2-yl-4-fluorobenzene
CID 45090452
4-ethenyl-3-fluorobenzamide
CID 154814877
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
5-cyano-2-fluorobenzamide;hydrochloride
CID 165153570
CID 90021894
CID 90021894
5-(3,4-dichlorophenyl)-2-fluorobenzamide
CID 134623243
2-fluoro-5-(3-fluorophenyl)benzamide
CID 46312277
2-fluoro-5-pyridin-4-ylbenzamide
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4-fluorobenzene-1,3-dicarbonyl chloride
CID 21419886

Frequently Asked Questions

What is the IUPAC name of 5-buta-1,3-dien-2-yl-2-fluorobenzamide?
The IUPAC name of 5-buta-1,3-dien-2-yl-2-fluorobenzamide (CID 123226299) is 5-buta-1,3-dien-2-yl-2-fluorobenzamide.
What is the SMILES notation for 5-buta-1,3-dien-2-yl-2-fluorobenzamide?
The canonical SMILES for 5-buta-1,3-dien-2-yl-2-fluorobenzamide is C=CC(=C)c1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 5-buta-1,3-dien-2-yl-2-fluorobenzamide?
The InChIKey is XNNCRMWZZBSGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-3-7(2)8-4-5-10(12)9(6-8)11(13)14/h3-6H,1-2H2,(H2,13,14).
What are the key properties of 5-buta-1,3-dien-2-yl-2-fluorobenzamide?
5-buta-1,3-dien-2-yl-2-fluorobenzamide has a molecular weight of 191.20 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-buta-1,3-dien-2-yl-2-fluorobenzamide is sourced from PubChem (CID 123226299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).