3-(1-fluoropropan-2-ylamino)oxolan-2-one

C7H12FNO2 — CID 130637247

IUPAC3-(1-fluoropropan-2-ylamino)oxolan-2-one
SMILESCC(CF)NC1CCOC1=O
InChIInChI=1S/C7H12FNO2/c1-5(4-8)9-6-2-3-11-7(6)10/h5-6,9H,2-4H2,1H3
InChIKeyPNKPSQJTVGEMDG-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.25
Rot. Bonds3

About 3-(1-fluoropropan-2-ylamino)oxolan-2-one

3-(1-fluoropropan-2-ylamino)oxolan-2-one (PubChem CID 130637247) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 3-(1-fluoropropan-2-ylamino)oxolan-2-one.

Molecular Properties

Compound Name3-(1-fluoropropan-2-ylamino)oxolan-2-one
PubChem CID130637247
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name3-(1-fluoropropan-2-ylamino)oxolan-2-one
SMILESCC(CF)NC1CCOC1=O
InChIInChI=1S/C7H12FNO2/c1-5(4-8)9-6-2-3-11-7(6)10/h5-6,9H,2-4H2,1H3
InChIKeyPNKPSQJTVGEMDG-UHFFFAOYSA-N
XLogP0.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Butyryl-L-homoserine lactone
CID 10130163
Pai-2
CID 443433
N-(2-oxooxolan-3-yl)acetamide
CID 325257
L-Homoserine lactone, N-trifluoroacetyl-
CID 14218578
Ethyl 2-(methylamino)butanoate
CID 59767891
Methyl 1,4-oxazepane-5-carboxylate
CID 84048302
(R)-N-(2-Oxotetrahydrofuran-3-yl)butyramide
CID 44602431
Acetyl-L-homoserine lactone
CID 10012012
3r-Tetrahydrofuranyl glycine
CID 129859403
3,3,3-trifluoro-N-(2-oxooxolan-3-yl)propanamide
CID 71064663
Ethyl 4,4,4-trifluoro-2-(propan-2-ylamino)butanoate
CID 87277308
methyl (2S)-4-fluoro-2-(2-fluoroethylamino)butanoate
CID 163914015

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoropropan-2-ylamino)oxolan-2-one?
The IUPAC name of 3-(1-fluoropropan-2-ylamino)oxolan-2-one (CID 130637247) is 3-(1-fluoropropan-2-ylamino)oxolan-2-one.
What is the SMILES notation for 3-(1-fluoropropan-2-ylamino)oxolan-2-one?
The canonical SMILES for 3-(1-fluoropropan-2-ylamino)oxolan-2-one is CC(CF)NC1CCOC1=O.
What is the InChIKey of 3-(1-fluoropropan-2-ylamino)oxolan-2-one?
The InChIKey is PNKPSQJTVGEMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-5(4-8)9-6-2-3-11-7(6)10/h5-6,9H,2-4H2,1H3.
What are the key properties of 3-(1-fluoropropan-2-ylamino)oxolan-2-one?
3-(1-fluoropropan-2-ylamino)oxolan-2-one has a molecular weight of 161.18 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoropropan-2-ylamino)oxolan-2-one is sourced from PubChem (CID 130637247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).