2,2-difluoro-2-(fluoromethoxy)-N-methylacetamide

C4H6F3NO2 — CID 59964207

IUPAC2,2-difluoro-2-(fluoromethoxy)-N-methylacetamide
SMILESCNC(=O)C(F)(F)OCF
InChIInChI=1S/C4H6F3NO2/c1-8-3(9)4(6,7)10-2-5/h2H2,1H3,(H,8,9)
InChIKeyRHUXSEJFXMDSMQ-UHFFFAOYSA-N
MW157.09 g/mol
LogP0.27
Rot. Bonds3

About 2,2-difluoro-2-(fluoromethoxy)-N-methylacetamide

2,2-difluoro-2-(fluoromethoxy)-N-methylacetamide (PubChem CID 59964207) has the molecular formula C4H6F3NO2 and a molecular weight of 157.09 g/mol. Its IUPAC name is 2,2-difluoro-2-(fluoromethoxy)-N-methylacetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(fluoromethoxy)-N-methylacetamide
PubChem CID59964207
Molecular FormulaC4H6F3NO2
Molecular Weight157.09 g/mol
Exact Mass157.04
IUPAC Name2,2-difluoro-2-(fluoromethoxy)-N-methylacetamide
SMILESCNC(=O)C(F)(F)OCF
InChIInChI=1S/C4H6F3NO2/c1-8-3(9)4(6,7)10-2-5/h2H2,1H3,(H,8,9)
InChIKeyRHUXSEJFXMDSMQ-UHFFFAOYSA-N
XLogP0.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(fluoromethoxy)-N-methylacetamide?
The IUPAC name of 2,2-difluoro-2-(fluoromethoxy)-N-methylacetamide (CID 59964207) is 2,2-difluoro-2-(fluoromethoxy)-N-methylacetamide.
What is the SMILES notation for 2,2-difluoro-2-(fluoromethoxy)-N-methylacetamide?
The canonical SMILES for 2,2-difluoro-2-(fluoromethoxy)-N-methylacetamide is CNC(=O)C(F)(F)OCF.
What is the InChIKey of 2,2-difluoro-2-(fluoromethoxy)-N-methylacetamide?
The InChIKey is RHUXSEJFXMDSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2/c1-8-3(9)4(6,7)10-2-5/h2H2,1H3,(H,8,9).
What are the key properties of 2,2-difluoro-2-(fluoromethoxy)-N-methylacetamide?
2,2-difluoro-2-(fluoromethoxy)-N-methylacetamide has a molecular weight of 157.09 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(fluoromethoxy)-N-methylacetamide is sourced from PubChem (CID 59964207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).