2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methoxy-N-methylacetamide

C11H16FNO2 — CID 146388908

IUPAC2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CC1=CC=C(F)CC1C
InChIInChI=1S/C11H16FNO2/c1-8-6-10(12)5-4-9(8)7-11(14)13(2)15-3/h4-5,8H,6-7H2,1-3H3
InChIKeyMXEDMGVTFIKEAE-UHFFFAOYSA-N
MW213.25 g/mol
LogP2.22
Rot. Bonds3

About 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methoxy-N-methylacetamide

2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methoxy-N-methylacetamide (PubChem CID 146388908) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methoxy-N-methylacetamide
PubChem CID146388908
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CC1=CC=C(F)CC1C
InChIInChI=1S/C11H16FNO2/c1-8-6-10(12)5-4-9(8)7-11(14)13(2)15-3/h4-5,8H,6-7H2,1-3H3
InChIKeyMXEDMGVTFIKEAE-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethylphenyl)-N-methoxy-N-methylacetamide
CID 89040835
tert-butyl 4-[2-[methoxy(methyl)amino]-2-oxoethyl]benzoate
CID 59331582
2-(3-ethylphenyl)-N-methoxy-N-methylacetamide
CID 87253905
N-methoxy-N-methyl-2-pyrimidin-5-ylacetamide
CID 126580516
methane;N-methoxy-N-methyl-2-(2,3,5-trifluorophenyl)acetamide;1-(2,3,5-trifluorophenyl)propan-2-one
CID 157217535
N-methoxy-N-methylpropanamide
CID 11344007
2-(3,5-difluorophenoxy)-N-methoxy-N-methylacetamide
CID 91620381
lithium;alumane;2-(4-fluorophenyl)acetaldehyde;2-(4-fluorophenyl)-N-methoxy-N-methylacetamide;hydride;methane
CID 158240272
2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-methoxy-N-methylacetamide
CID 19043704
2-(2,4-dichlorophenyl)-N-methoxy-N-methylacetamide
CID 18445352
2-cyclopentyl-N-methoxy-N-methylacetamide
CID 15158208
2-(2-bromo-4-hydroxyphenyl)-N-methoxy-N-methylacetamide
CID 86666324

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methoxy-N-methylacetamide?
The IUPAC name of 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methoxy-N-methylacetamide (CID 146388908) is 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methoxy-N-methylacetamide is CON(C)C(=O)CC1=CC=C(F)CC1C.
What is the InChIKey of 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methoxy-N-methylacetamide?
The InChIKey is MXEDMGVTFIKEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-8-6-10(12)5-4-9(8)7-11(14)13(2)15-3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methoxy-N-methylacetamide?
2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methoxy-N-methylacetamide has a molecular weight of 213.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methoxy-N-methylacetamide is sourced from PubChem (CID 146388908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).