3,3-difluoro-5-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]oxolan-2-one

C12H21F2NO3 — CID 106349610

IUPAC3,3-difluoro-5-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]oxolan-2-one
SMILESCC(C)(C)C(CCO)NCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C12H21F2NO3/c1-11(2,3)9(4-5-16)15-7-8-6-12(13,14)10(17)18-8/h8-9,15-16H,4-7H2,1-3H3
InChIKeyLOBLWBKFYHPORF-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.32
Rot. Bonds5

About 3,3-difluoro-5-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]oxolan-2-one

3,3-difluoro-5-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]oxolan-2-one (PubChem CID 106349610) has the molecular formula C12H21F2NO3 and a molecular weight of 265.30 g/mol. Its IUPAC name is 3,3-difluoro-5-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]oxolan-2-one
PubChem CID106349610
Molecular FormulaC12H21F2NO3
Molecular Weight265.30 g/mol
Exact Mass265.15
IUPAC Name3,3-difluoro-5-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]oxolan-2-one
SMILESCC(C)(C)C(CCO)NCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C12H21F2NO3/c1-11(2,3)9(4-5-16)15-7-8-6-12(13,14)10(17)18-8/h8-9,15-16H,4-7H2,1-3H3
InChIKeyLOBLWBKFYHPORF-UHFFFAOYSA-N
XLogP1.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.32
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-4,4-dimethylpentan-3-yl)amino]methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]oxolan-2-one (CID 106349610) is 3,3-difluoro-5-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]oxolan-2-one is CC(C)(C)C(CCO)NCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 3,3-difluoro-5-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]oxolan-2-one?
The InChIKey is LOBLWBKFYHPORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO3/c1-11(2,3)9(4-5-16)15-7-8-6-12(13,14)10(17)18-8/h8-9,15-16H,4-7H2,1-3H3.
What are the key properties of 3,3-difluoro-5-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]oxolan-2-one?
3,3-difluoro-5-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]oxolan-2-one has a molecular weight of 265.30 g/mol, XLogP of 1.32, 5 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-4,4-dimethylpentan-3-yl)amino]methyl]oxolan-2-one is sourced from PubChem (CID 106349610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).