N-[(3E)-5-(fluoromethoxy)hexa-1,3,5-trien-3-yl]-N-methylacetamide

C10H14FNO2 — CID 171647226

IUPACN-[(3E)-5-(fluoromethoxy)hexa-1,3,5-trien-3-yl]-N-methylacetamide
SMILESC=C/C(=C\C(=C)OCF)N(C)C(C)=O
InChIInChI=1S/C10H14FNO2/c1-5-10(12(4)9(3)13)6-8(2)14-7-11/h5-6H,1-2,7H2,3-4H3/b10-6+
InChIKeyYYICSKGDZLFVSD-UXBLZVDNSA-N
MW199.22 g/mol
LogP1.99
Rot. Bonds5

About N-[(3E)-5-(fluoromethoxy)hexa-1,3,5-trien-3-yl]-N-methylacetamide

N-[(3E)-5-(fluoromethoxy)hexa-1,3,5-trien-3-yl]-N-methylacetamide (PubChem CID 171647226) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is N-[(3E)-5-(fluoromethoxy)hexa-1,3,5-trien-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3E)-5-(fluoromethoxy)hexa-1,3,5-trien-3-yl]-N-methylacetamide
PubChem CID171647226
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC NameN-[(3E)-5-(fluoromethoxy)hexa-1,3,5-trien-3-yl]-N-methylacetamide
SMILESC=C/C(=C\C(=C)OCF)N(C)C(C)=O
InChIInChI=1S/C10H14FNO2/c1-5-10(12(4)9(3)13)6-8(2)14-7-11/h5-6H,1-2,7H2,3-4H3/b10-6+
InChIKeyYYICSKGDZLFVSD-UXBLZVDNSA-N
XLogP1.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-Methoxy-1,6-dimethylpyridin-2(1H)-one
CID 71362233
N-methyl-N-(2H-pyran-4-yl)acetamide
CID 89157245
N-[2-[[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-methylamino]ethyl]-N-methylacetamide
CID 142161971
1-Ethyl-4-methoxy-6-methylpyridin-2-one
CID 143711284
ethane;N-[(3E)-5-(fluoromethoxy)hexa-1,3,5-trien-3-yl]-N-methylacetamide
CID 171647225
N-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-N-methylformamide
CID 145176136

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-5-(fluoromethoxy)hexa-1,3,5-trien-3-yl]-N-methylacetamide?
The IUPAC name of N-[(3E)-5-(fluoromethoxy)hexa-1,3,5-trien-3-yl]-N-methylacetamide (CID 171647226) is N-[(3E)-5-(fluoromethoxy)hexa-1,3,5-trien-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[(3E)-5-(fluoromethoxy)hexa-1,3,5-trien-3-yl]-N-methylacetamide?
The canonical SMILES for N-[(3E)-5-(fluoromethoxy)hexa-1,3,5-trien-3-yl]-N-methylacetamide is C=C/C(=C\C(=C)OCF)N(C)C(C)=O.
What is the InChIKey of N-[(3E)-5-(fluoromethoxy)hexa-1,3,5-trien-3-yl]-N-methylacetamide?
The InChIKey is YYICSKGDZLFVSD-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-5-10(12(4)9(3)13)6-8(2)14-7-11/h5-6H,1-2,7H2,3-4H3/b10-6+.
What are the key properties of N-[(3E)-5-(fluoromethoxy)hexa-1,3,5-trien-3-yl]-N-methylacetamide?
N-[(3E)-5-(fluoromethoxy)hexa-1,3,5-trien-3-yl]-N-methylacetamide has a molecular weight of 199.22 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-5-(fluoromethoxy)hexa-1,3,5-trien-3-yl]-N-methylacetamide is sourced from PubChem (CID 171647226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).