2,2-difluoro-2-(3-fluoropropoxy)-N,N-dimethylacetamide

C7H12F3NO2 — CID 118404527

IUPAC2,2-difluoro-2-(3-fluoropropoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(F)(F)OCCCF
InChIInChI=1S/C7H12F3NO2/c1-11(2)6(12)7(9,10)13-5-3-4-8/h3-5H2,1-2H3
InChIKeyGWFZHFDZDPDSMQ-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.04
Rot. Bonds5

About 2,2-difluoro-2-(3-fluoropropoxy)-N,N-dimethylacetamide

2,2-difluoro-2-(3-fluoropropoxy)-N,N-dimethylacetamide (PubChem CID 118404527) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-fluoropropoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(3-fluoropropoxy)-N,N-dimethylacetamide
PubChem CID118404527
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2,2-difluoro-2-(3-fluoropropoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(F)(F)OCCCF
InChIInChI=1S/C7H12F3NO2/c1-11(2)6(12)7(9,10)13-5-3-4-8/h3-5H2,1-2H3
InChIKeyGWFZHFDZDPDSMQ-UHFFFAOYSA-N
XLogP1.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.04
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-2-(3-fluoropropoxy)-N,N-dimethylacetamide?
The IUPAC name of 2,2-difluoro-2-(3-fluoropropoxy)-N,N-dimethylacetamide (CID 118404527) is 2,2-difluoro-2-(3-fluoropropoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2,2-difluoro-2-(3-fluoropropoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2,2-difluoro-2-(3-fluoropropoxy)-N,N-dimethylacetamide is CN(C)C(=O)C(F)(F)OCCCF.
What is the InChIKey of 2,2-difluoro-2-(3-fluoropropoxy)-N,N-dimethylacetamide?
The InChIKey is GWFZHFDZDPDSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-11(2)6(12)7(9,10)13-5-3-4-8/h3-5H2,1-2H3.
What are the key properties of 2,2-difluoro-2-(3-fluoropropoxy)-N,N-dimethylacetamide?
2,2-difluoro-2-(3-fluoropropoxy)-N,N-dimethylacetamide has a molecular weight of 199.17 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(3-fluoropropoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 118404527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).