2-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide

C10H13F2NO — CID 163558142

IUPAC2-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1C=C(F)C=C(F)C1C
InChIInChI=1S/C10H13F2NO/c1-6-7(4-10(14)13-2)3-8(11)5-9(6)12/h3,5-7H,4H2,1-2H3,(H,13,14)
InChIKeyFOVYLGNQUAPHCG-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.10
Rot. Bonds2

About 2-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide

2-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide (PubChem CID 163558142) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide
PubChem CID163558142
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1C=C(F)C=C(F)C1C
InChIInChI=1S/C10H13F2NO/c1-6-7(4-10(14)13-2)3-8(11)5-9(6)12/h3,5-7H,4H2,1-2H3,(H,13,14)
InChIKeyFOVYLGNQUAPHCG-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide?
The IUPAC name of 2-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide (CID 163558142) is 2-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide is CNC(=O)CC1C=C(F)C=C(F)C1C.
What is the InChIKey of 2-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide?
The InChIKey is FOVYLGNQUAPHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-6-7(4-10(14)13-2)3-8(11)5-9(6)12/h3,5-7H,4H2,1-2H3,(H,13,14).
What are the key properties of 2-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide?
2-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide has a molecular weight of 201.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-N-methylacetamide is sourced from PubChem (CID 163558142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).