3,3-difluoro-5-(methylaminomethyl)oxolan-2-one

C6H9F2NO2 — CID 106492207

IUPAC3,3-difluoro-5-(methylaminomethyl)oxolan-2-one
SMILESCNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C6H9F2NO2/c1-9-3-4-2-6(7,8)5(10)11-4/h4,9H,2-3H2,1H3
InChIKeyWUWJNSHMQADRII-UHFFFAOYSA-N
MW165.14 g/mol
LogP0.16
Rot. Bonds2

About 3,3-difluoro-5-(methylaminomethyl)oxolan-2-one

3,3-difluoro-5-(methylaminomethyl)oxolan-2-one (PubChem CID 106492207) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 3,3-difluoro-5-(methylaminomethyl)oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-(methylaminomethyl)oxolan-2-one
PubChem CID106492207
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name3,3-difluoro-5-(methylaminomethyl)oxolan-2-one
SMILESCNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C6H9F2NO2/c1-9-3-4-2-6(7,8)5(10)11-4/h4,9H,2-3H2,1H3
InChIKeyWUWJNSHMQADRII-UHFFFAOYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-Methyl 4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylate
CID 59436469
N-(5-Oxo-tetrahydro-furan-2-ylmethyl)-acetamide
CID 533856
5-[[(3,3-Difluoro-2-hydroxypropyl)amino]methyl]-3,3-difluorooxolan-2-one
CID 105645364
3,3-Difluoro-5-[[3-(2-methylpropoxy)propylamino]methyl]oxolan-2-one
CID 105677335
3,3-Difluoro-5-[[3-(2-methoxyethoxy)propylamino]methyl]oxolan-2-one
CID 105677729
5-[[2-(Cyclopropylmethoxy)ethylamino]methyl]-3,3-difluorooxolan-2-one
CID 105678254
3,3-Difluoro-5-[(2,2,3-trimethylbutylamino)methyl]oxolan-2-one
CID 105694025
3,3-Difluoro-5-[[(1-methylcyclopropyl)methylamino]methyl]oxolan-2-one
CID 105694382
5-[[(1-Ethylcyclopropyl)methylamino]methyl]-3,3-difluorooxolan-2-one
CID 105694717
3,3-Difluoro-5-[[(2-methyloxan-4-yl)amino]methyl]oxolan-2-one
CID 105752498
3,3-Difluoro-5-[[(1-methylcyclobutyl)methylamino]methyl]oxolan-2-one
CID 105753071
5-[[(2-Ethylcyclopropyl)amino]methyl]-3,3-difluorooxolan-2-one
CID 105755364

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-(methylaminomethyl)oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-(methylaminomethyl)oxolan-2-one (CID 106492207) is 3,3-difluoro-5-(methylaminomethyl)oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-(methylaminomethyl)oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-(methylaminomethyl)oxolan-2-one is CNCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 3,3-difluoro-5-(methylaminomethyl)oxolan-2-one?
The InChIKey is WUWJNSHMQADRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-9-3-4-2-6(7,8)5(10)11-4/h4,9H,2-3H2,1H3.
What are the key properties of 3,3-difluoro-5-(methylaminomethyl)oxolan-2-one?
3,3-difluoro-5-(methylaminomethyl)oxolan-2-one has a molecular weight of 165.14 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-(methylaminomethyl)oxolan-2-one is sourced from PubChem (CID 106492207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).