3-[(3-fluorocyclopentyl)amino]oxolan-2-one

C9H14FNO2 — CID 130649635

IUPAC3-[(3-fluorocyclopentyl)amino]oxolan-2-one
SMILESO=C1OCCC1NC1CCC(F)C1
InChIInChI=1S/C9H14FNO2/c10-6-1-2-7(5-6)11-8-3-4-13-9(8)12/h6-8,11H,1-5H2
InChIKeyXIUXCNAIBNRIPK-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.78
Rot. Bonds2

About 3-[(3-fluorocyclopentyl)amino]oxolan-2-one

3-[(3-fluorocyclopentyl)amino]oxolan-2-one (PubChem CID 130649635) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is 3-[(3-fluorocyclopentyl)amino]oxolan-2-one.

Molecular Properties

Compound Name3-[(3-fluorocyclopentyl)amino]oxolan-2-one
PubChem CID130649635
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name3-[(3-fluorocyclopentyl)amino]oxolan-2-one
SMILESO=C1OCCC1NC1CCC(F)C1
InChIInChI=1S/C9H14FNO2/c10-6-1-2-7(5-6)11-8-3-4-13-9(8)12/h6-8,11H,1-5H2
InChIKeyXIUXCNAIBNRIPK-UHFFFAOYSA-N
XLogP0.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Cyclohexylamino)oxolan-2-one;hydrochloride
CID 71455995
3-(Cyclohexylamino)oxolan-2-one
CID 43824131
3-(2,2,2-Trifluoroethylamino)oxolan-2-one
CID 43825721
3-[2-(Fluoromethyl)pyrrolidin-1-yl]oxolan-2-one
CID 126997500
3-(1-Fluoropropan-2-ylamino)oxolan-2-one
CID 130637247
3-(1-Fluoropropan-2-ylamino)-5-methyloxolan-2-one
CID 130649707
3-[(3,3-Difluorocyclobutyl)methylamino]oxolan-2-one
CID 130719923
3-[[(2S)-1-fluoropropan-2-yl]amino]-5-methyloxolan-2-one
CID 130918609
3-[(4-Fluorocyclohexyl)amino]oxolan-2-one
CID 130962030
ethyl (2R)-2-(cyclopentylamino)butanoate
CID 25004005
(3S)-3-(butylamino)oxolan-2-one
CID 28421622
(3S)-3-(pentylamino)oxolan-2-one
CID 28563677

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorocyclopentyl)amino]oxolan-2-one?
The IUPAC name of 3-[(3-fluorocyclopentyl)amino]oxolan-2-one (CID 130649635) is 3-[(3-fluorocyclopentyl)amino]oxolan-2-one.
What is the SMILES notation for 3-[(3-fluorocyclopentyl)amino]oxolan-2-one?
The canonical SMILES for 3-[(3-fluorocyclopentyl)amino]oxolan-2-one is O=C1OCCC1NC1CCC(F)C1.
What is the InChIKey of 3-[(3-fluorocyclopentyl)amino]oxolan-2-one?
The InChIKey is XIUXCNAIBNRIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c10-6-1-2-7(5-6)11-8-3-4-13-9(8)12/h6-8,11H,1-5H2.
What are the key properties of 3-[(3-fluorocyclopentyl)amino]oxolan-2-one?
3-[(3-fluorocyclopentyl)amino]oxolan-2-one has a molecular weight of 187.21 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorocyclopentyl)amino]oxolan-2-one is sourced from PubChem (CID 130649635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).