2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide

C10H14FNO2 — CID 143665533

IUPAC2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide
SMILESCONC(=O)CC1=CC=C(F)C(C)C1
InChIInChI=1S/C10H14FNO2/c1-7-5-8(3-4-9(7)11)6-10(13)12-14-2/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyMCFAZOBILPNUDV-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.87
Rot. Bonds3

About 2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide

2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide (PubChem CID 143665533) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide.

Molecular Properties

Compound Name2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide
PubChem CID143665533
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide
SMILESCONC(=O)CC1=CC=C(F)C(C)C1
InChIInChI=1S/C10H14FNO2/c1-7-5-8(3-4-9(7)11)6-10(13)12-14-2/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKeyMCFAZOBILPNUDV-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide?
The IUPAC name of 2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide (CID 143665533) is 2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide.
What is the SMILES notation for 2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide?
The canonical SMILES for 2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide is CONC(=O)CC1=CC=C(F)C(C)C1.
What is the InChIKey of 2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide?
The InChIKey is MCFAZOBILPNUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-7-5-8(3-4-9(7)11)6-10(13)12-14-2/h3-4,7H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide?
2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide has a molecular weight of 199.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-5-methylcyclohexa-1,3-dien-1-yl)-N-methoxyacetamide is sourced from PubChem (CID 143665533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).