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

C9H17F2NO2 — CID 122450417

IUPAC2-(2,2-difluoro-3-methylbutoxy)-N,N-dimethylacetamide
SMILESCC(C)C(F)(F)COCC(=O)N(C)C
InChIInChI=1S/C9H17F2NO2/c1-7(2)9(10,11)6-14-5-8(13)12(3)4/h7H,5-6H2,1-4H3
InChIKeyRAFXIHWKCPCQPQ-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.38
Rot. Bonds5

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

2-(2,2-difluoro-3-methylbutoxy)-N,N-dimethylacetamide (PubChem CID 122450417) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-(2,2-difluoro-3-methylbutoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2,2-difluoro-3-methylbutoxy)-N,N-dimethylacetamide
PubChem CID122450417
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name2-(2,2-difluoro-3-methylbutoxy)-N,N-dimethylacetamide
SMILESCC(C)C(F)(F)COCC(=O)N(C)C
InChIInChI=1S/C9H17F2NO2/c1-7(2)9(10,11)6-14-5-8(13)12(3)4/h7H,5-6H2,1-4H3
InChIKeyRAFXIHWKCPCQPQ-UHFFFAOYSA-N
XLogP1.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-3-methylbutoxy)-N,N-dimethylacetamide?
The IUPAC name of 2-(2,2-difluoro-3-methylbutoxy)-N,N-dimethylacetamide (CID 122450417) is 2-(2,2-difluoro-3-methylbutoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2,2-difluoro-3-methylbutoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2,2-difluoro-3-methylbutoxy)-N,N-dimethylacetamide is CC(C)C(F)(F)COCC(=O)N(C)C.
What is the InChIKey of 2-(2,2-difluoro-3-methylbutoxy)-N,N-dimethylacetamide?
The InChIKey is RAFXIHWKCPCQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-7(2)9(10,11)6-14-5-8(13)12(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 2-(2,2-difluoro-3-methylbutoxy)-N,N-dimethylacetamide?
2-(2,2-difluoro-3-methylbutoxy)-N,N-dimethylacetamide has a molecular weight of 209.24 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-3-methylbutoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 122450417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).