3,3-difluoro-5-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]oxolan-2-one

C11H19F2NO3 — CID 106175354

IUPAC3,3-difluoro-5-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]oxolan-2-one
SMILESCCC(C)(CCO)NCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C11H19F2NO3/c1-3-10(2,4-5-15)14-7-8-6-11(12,13)9(16)17-8/h8,14-15H,3-7H2,1-2H3
InChIKeySVFWRXOQAXDKFN-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.08
Rot. Bonds6

About 3,3-difluoro-5-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]oxolan-2-one

3,3-difluoro-5-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]oxolan-2-one (PubChem CID 106175354) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is 3,3-difluoro-5-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]oxolan-2-one
PubChem CID106175354
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name3,3-difluoro-5-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]oxolan-2-one
SMILESCCC(C)(CCO)NCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C11H19F2NO3/c1-3-10(2,4-5-15)14-7-8-6-11(12,13)9(16)17-8/h8,14-15H,3-7H2,1-2H3
InChIKeySVFWRXOQAXDKFN-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]oxolan-2-one (CID 106175354) is 3,3-difluoro-5-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]oxolan-2-one is CCC(C)(CCO)NCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 3,3-difluoro-5-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]oxolan-2-one?
The InChIKey is SVFWRXOQAXDKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c1-3-10(2,4-5-15)14-7-8-6-11(12,13)9(16)17-8/h8,14-15H,3-7H2,1-2H3.
What are the key properties of 3,3-difluoro-5-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]oxolan-2-one?
3,3-difluoro-5-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]oxolan-2-one has a molecular weight of 251.27 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[[(1-hydroxy-3-methylpentan-3-yl)amino]methyl]oxolan-2-one is sourced from PubChem (CID 106175354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).