5-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]pentanamide

C10H16F2N2O3 — CID 106237134

IUPAC5-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]pentanamide
SMILESNC(=O)CCCCNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C10H16F2N2O3/c11-10(12)5-7(17-9(10)16)6-14-4-2-1-3-8(13)15/h7,14H,1-6H2,(H2,13,15)
InChIKeyVVBMLOZDPNFOOJ-UHFFFAOYSA-N
MW250.24 g/mol
LogP0.18
Rot. Bonds7

About 5-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]pentanamide

5-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]pentanamide (PubChem CID 106237134) has the molecular formula C10H16F2N2O3 and a molecular weight of 250.24 g/mol. Its IUPAC name is 5-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]pentanamide.

Molecular Properties

Compound Name5-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]pentanamide
PubChem CID106237134
Molecular FormulaC10H16F2N2O3
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC Name5-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]pentanamide
SMILESNC(=O)CCCCNCC1CC(F)(F)C(=O)O1
InChIInChI=1S/C10H16F2N2O3/c11-10(12)5-7(17-9(10)16)6-14-4-2-1-3-8(13)15/h7,14H,1-6H2,(H2,13,15)
InChIKeyVVBMLOZDPNFOOJ-UHFFFAOYSA-N
XLogP0.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3-difluoro-5-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]oxolan-2-one
CID 106492966
3,3-difluoro-5-[(2-methylprop-2-enylamino)methyl]oxolan-2-one
CID 106492972
3,3-difluoro-5-[[3-(N-methylanilino)propylamino]methyl]oxolan-2-one
CID 106492260
5-[[2-(3,5-difluorophenyl)ethylamino]methyl]-3,3-difluorooxolan-2-one
CID 106492587
3,3-difluoro-5-[[(4-hydroxyphenyl)methylamino]methyl]oxolan-2-one
CID 106492962
5-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-3,3-difluorooxolan-2-one
CID 106046328
3,3-difluoro-5-[[(1-methylcyclopentyl)methylamino]methyl]oxolan-2-one
CID 106492632
5-[(2,2-dimethylhydrazinyl)methyl]-3,3-difluorooxolan-2-one
CID 106492839
3,3-difluoro-5-[[(3-methylcyclobutyl)amino]methyl]oxolan-2-one
CID 106492902
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide
CID 106237490
3,3-difluoro-5-[[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]methyl]oxolan-2-one
CID 106189900
3,3-difluoro-5-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]oxolan-2-one
CID 114130428

Frequently Asked Questions

What is the IUPAC name of 5-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]pentanamide?
The IUPAC name of 5-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]pentanamide (CID 106237134) is 5-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]pentanamide.
What is the SMILES notation for 5-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]pentanamide?
The canonical SMILES for 5-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]pentanamide is NC(=O)CCCCNCC1CC(F)(F)C(=O)O1.
What is the InChIKey of 5-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]pentanamide?
The InChIKey is VVBMLOZDPNFOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O3/c11-10(12)5-7(17-9(10)16)6-14-4-2-1-3-8(13)15/h7,14H,1-6H2,(H2,13,15).
What are the key properties of 5-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]pentanamide?
5-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]pentanamide has a molecular weight of 250.24 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]pentanamide is sourced from PubChem (CID 106237134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).