3,3-difluoro-5-[(3-methylpentan-3-ylamino)methyl]oxolan-2-one

C11H19F2NO2 — CID 106328748

IUPAC3,3-difluoro-5-[(3-methylpentan-3-ylamino)methyl]oxolan-2-one
SMILESCCC(C)(CC)NCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C11H19F2NO2/c1-4-10(3,5-2)14-7-8-6-11(12,13)9(15)16-8/h8,14H,4-7H2,1-3H3
InChIKeyIKMRIYLULFKCNR-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.11
Rot. Bonds5

About 3,3-difluoro-5-[(3-methylpentan-3-ylamino)methyl]oxolan-2-one

3,3-difluoro-5-[(3-methylpentan-3-ylamino)methyl]oxolan-2-one (PubChem CID 106328748) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 3,3-difluoro-5-[(3-methylpentan-3-ylamino)methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[(3-methylpentan-3-ylamino)methyl]oxolan-2-one
PubChem CID106328748
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name3,3-difluoro-5-[(3-methylpentan-3-ylamino)methyl]oxolan-2-one
SMILESCCC(C)(CC)NCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C11H19F2NO2/c1-4-10(3,5-2)14-7-8-6-11(12,13)9(15)16-8/h8,14H,4-7H2,1-3H3
InChIKeyIKMRIYLULFKCNR-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxylate
CID 69913285
Ethyl 2-(difluoromethyl)pyrrolidine-2-carboxylate
CID 12171072
Ethyl 2-Trifluoromethyl-pyrrolidine-2-carboxylate
CID 50998646
ethyl (2S)-2-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 95212008
ethyl (2R)-2-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 95212009
3,3-Difluoro-5-[[(1-methylcyclohexyl)methylamino]methyl]oxolan-2-one
CID 105653540
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

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[(3-methylpentan-3-ylamino)methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[(3-methylpentan-3-ylamino)methyl]oxolan-2-one (CID 106328748) is 3,3-difluoro-5-[(3-methylpentan-3-ylamino)methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[(3-methylpentan-3-ylamino)methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[(3-methylpentan-3-ylamino)methyl]oxolan-2-one is CCC(C)(CC)NCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 3,3-difluoro-5-[(3-methylpentan-3-ylamino)methyl]oxolan-2-one?
The InChIKey is IKMRIYLULFKCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-4-10(3,5-2)14-7-8-6-11(12,13)9(15)16-8/h8,14H,4-7H2,1-3H3.
What are the key properties of 3,3-difluoro-5-[(3-methylpentan-3-ylamino)methyl]oxolan-2-one?
3,3-difluoro-5-[(3-methylpentan-3-ylamino)methyl]oxolan-2-one has a molecular weight of 235.27 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[(3-methylpentan-3-ylamino)methyl]oxolan-2-one is sourced from PubChem (CID 106328748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).