2,2-difluoro-N-(3-methoxypropyl)-N-methylacetamide

C7H13F2NO2 — CID 103515611

IUPAC2,2-difluoro-N-(3-methoxypropyl)-N-methylacetamide
SMILESCOCCCN(C)C(=O)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-10(4-3-5-12-2)7(11)6(8)9/h6H,3-5H2,1-2H3
InChIKeyMDXIBYHLPFRQJM-UHFFFAOYSA-N
MW181.18 g/mol
LogP0.75
Rot. Bonds5

About 2,2-difluoro-N-(3-methoxypropyl)-N-methylacetamide

2,2-difluoro-N-(3-methoxypropyl)-N-methylacetamide (PubChem CID 103515611) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-methoxypropyl)-N-methylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-methoxypropyl)-N-methylacetamide
PubChem CID103515611
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name2,2-difluoro-N-(3-methoxypropyl)-N-methylacetamide
SMILESCOCCCN(C)C(=O)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-10(4-3-5-12-2)7(11)6(8)9/h6H,3-5H2,1-2H3
InChIKeyMDXIBYHLPFRQJM-UHFFFAOYSA-N
XLogP0.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-methoxypropyl)-N-methylacetamide?
The IUPAC name of 2,2-difluoro-N-(3-methoxypropyl)-N-methylacetamide (CID 103515611) is 2,2-difluoro-N-(3-methoxypropyl)-N-methylacetamide.
What is the SMILES notation for 2,2-difluoro-N-(3-methoxypropyl)-N-methylacetamide?
The canonical SMILES for 2,2-difluoro-N-(3-methoxypropyl)-N-methylacetamide is COCCCN(C)C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(3-methoxypropyl)-N-methylacetamide?
The InChIKey is MDXIBYHLPFRQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c1-10(4-3-5-12-2)7(11)6(8)9/h6H,3-5H2,1-2H3.
What are the key properties of 2,2-difluoro-N-(3-methoxypropyl)-N-methylacetamide?
2,2-difluoro-N-(3-methoxypropyl)-N-methylacetamide has a molecular weight of 181.18 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(3-methoxypropyl)-N-methylacetamide is sourced from PubChem (CID 103515611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).