3,3-difluoro-5-[[2-(2-methoxyethyl)anilino]methyl]oxolan-2-one

C14H17F2NO3 — CID 106492983

IUPAC3,3-difluoro-5-[[2-(2-methoxyethyl)anilino]methyl]oxolan-2-one
SMILESCOCCc1ccccc1NCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C14H17F2NO3/c1-19-7-6-10-4-2-3-5-12(10)17-9-11-8-14(15,16)13(18)20-11/h2-5,11,17H,6-9H2,1H3
InChIKeyHWDXZSDJCSXMIM-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.24
Rot. Bonds6

About 3,3-difluoro-5-[[2-(2-methoxyethyl)anilino]methyl]oxolan-2-one

3,3-difluoro-5-[[2-(2-methoxyethyl)anilino]methyl]oxolan-2-one (PubChem CID 106492983) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 3,3-difluoro-5-[[2-(2-methoxyethyl)anilino]methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[[2-(2-methoxyethyl)anilino]methyl]oxolan-2-one
PubChem CID106492983
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name3,3-difluoro-5-[[2-(2-methoxyethyl)anilino]methyl]oxolan-2-one
SMILESCOCCc1ccccc1NCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C14H17F2NO3/c1-19-7-6-10-4-2-3-5-12(10)17-9-11-8-14(15,16)13(18)20-11/h2-5,11,17H,6-9H2,1H3
InChIKeyHWDXZSDJCSXMIM-UHFFFAOYSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-difluoro-5-[[2-(methoxymethyl)anilino]methyl]oxolan-2-one
CID 106492495
3,3-difluoro-5-[(2-methoxyanilino)methyl]oxolan-2-one
CID 106492239
5-[(2-bromo-3-chloroanilino)methyl]-3,3-difluorooxolan-2-one
CID 106492991
5-[(4-bromo-5-fluoro-2-methylanilino)methyl]-3,3-difluorooxolan-2-one
CID 106492956
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methoxyethyl)aniline
CID 103277161
N-(2-cyclopropylethyl)-2-(2-methoxyethyl)aniline
CID 102847355
N'-tert-butyl-N-[2-(2-methoxyethyl)phenyl]ethane-1,2-diamine
CID 107446264
2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 102847349
N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline
CID 102903791
3,3-difluoro-5-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]oxolan-2-one
CID 106189900
[5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-yl]methanol
CID 102847721
N-cyclobutyl-2-(2-methoxyethyl)aniline
CID 102848928

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[[2-(2-methoxyethyl)anilino]methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[[2-(2-methoxyethyl)anilino]methyl]oxolan-2-one (CID 106492983) is 3,3-difluoro-5-[[2-(2-methoxyethyl)anilino]methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[[2-(2-methoxyethyl)anilino]methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[[2-(2-methoxyethyl)anilino]methyl]oxolan-2-one is COCCc1ccccc1NCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 3,3-difluoro-5-[[2-(2-methoxyethyl)anilino]methyl]oxolan-2-one?
The InChIKey is HWDXZSDJCSXMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-19-7-6-10-4-2-3-5-12(10)17-9-11-8-14(15,16)13(18)20-11/h2-5,11,17H,6-9H2,1H3.
What are the key properties of 3,3-difluoro-5-[[2-(2-methoxyethyl)anilino]methyl]oxolan-2-one?
3,3-difluoro-5-[[2-(2-methoxyethyl)anilino]methyl]oxolan-2-one has a molecular weight of 285.29 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[[2-(2-methoxyethyl)anilino]methyl]oxolan-2-one is sourced from PubChem (CID 106492983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).