3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxan-4-one

C10H17F2NO3 — CID 107486402

IUPAC3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxan-4-one
SMILESO=C1CCOCC1CN(CCO)CC(F)F
InChIInChI=1S/C10H17F2NO3/c11-10(12)6-13(2-3-14)5-8-7-16-4-1-9(8)15/h8,10,14H,1-7H2
InChIKeyLHPPZLYSKFQLKW-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.15
Rot. Bonds6

About 3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxan-4-one

3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxan-4-one (PubChem CID 107486402) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxan-4-one.

Molecular Properties

Compound Name3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxan-4-one
PubChem CID107486402
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxan-4-one
SMILESO=C1CCOCC1CN(CCO)CC(F)F
InChIInChI=1S/C10H17F2NO3/c11-10(12)6-13(2-3-14)5-8-7-16-4-1-9(8)15/h8,10,14H,1-7H2
InChIKeyLHPPZLYSKFQLKW-UHFFFAOYSA-N
XLogP0.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxan-4-one?
The IUPAC name of 3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxan-4-one (CID 107486402) is 3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxan-4-one.
What is the SMILES notation for 3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxan-4-one?
The canonical SMILES for 3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxan-4-one is O=C1CCOCC1CN(CCO)CC(F)F.
What is the InChIKey of 3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxan-4-one?
The InChIKey is LHPPZLYSKFQLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c11-10(12)6-13(2-3-14)5-8-7-16-4-1-9(8)15/h8,10,14H,1-7H2.
What are the key properties of 3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxan-4-one?
3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxan-4-one has a molecular weight of 237.25 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxan-4-one is sourced from PubChem (CID 107486402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).