2,2-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide

C9H15F2NO3 — CID 103514015

IUPAC2,2-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCOCC1)C(=O)C(F)F
InChIInChI=1S/C9H15F2NO3/c1-12(8(13)7(10)11)6-9(14)2-4-15-5-3-9/h7,14H,2-6H2,1H3
InChIKeyCEBVFRQVJQDGPA-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.25
Rot. Bonds3

About 2,2-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide

2,2-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide (PubChem CID 103514015) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is 2,2-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
PubChem CID103514015
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC Name2,2-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCOCC1)C(=O)C(F)F
InChIInChI=1S/C9H15F2NO3/c1-12(8(13)7(10)11)6-9(14)2-4-15-5-3-9/h7,14H,2-6H2,1H3
InChIKeyCEBVFRQVJQDGPA-UHFFFAOYSA-N
XLogP0.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide?
The IUPAC name of 2,2-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide (CID 103514015) is 2,2-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2,2-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2,2-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide is CN(CC1(O)CCOCC1)C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide?
The InChIKey is CEBVFRQVJQDGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-12(8(13)7(10)11)6-9(14)2-4-15-5-3-9/h7,14H,2-6H2,1H3.
What are the key properties of 2,2-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide?
2,2-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide has a molecular weight of 223.22 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 103514015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).