3-(1-fluoropropyl)-1,3-oxazolidin-2-one

C6H10FNO2 — CID 138733898

IUPAC3-(1-fluoropropyl)-1,3-oxazolidin-2-one
SMILESCCC(F)N1CCOC1=O
InChIInChI=1S/C6H10FNO2/c1-2-5(7)8-3-4-10-6(8)9/h5H,2-4H2,1H3
InChIKeyBVPBDLWBHOHEJN-UHFFFAOYSA-N
MW147.15 g/mol
LogP1.14
Rot. Bonds2

About 3-(1-fluoropropyl)-1,3-oxazolidin-2-one

3-(1-fluoropropyl)-1,3-oxazolidin-2-one (PubChem CID 138733898) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is 3-(1-fluoropropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(1-fluoropropyl)-1,3-oxazolidin-2-one
PubChem CID138733898
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name3-(1-fluoropropyl)-1,3-oxazolidin-2-one
SMILESCCC(F)N1CCOC1=O
InChIInChI=1S/C6H10FNO2/c1-2-5(7)8-3-4-10-6(8)9/h5H,2-4H2,1H3
InChIKeyBVPBDLWBHOHEJN-UHFFFAOYSA-N
XLogP1.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoropropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(1-fluoropropyl)-1,3-oxazolidin-2-one (CID 138733898) is 3-(1-fluoropropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(1-fluoropropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(1-fluoropropyl)-1,3-oxazolidin-2-one is CCC(F)N1CCOC1=O.
What is the InChIKey of 3-(1-fluoropropyl)-1,3-oxazolidin-2-one?
The InChIKey is BVPBDLWBHOHEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-2-5(7)8-3-4-10-6(8)9/h5H,2-4H2,1H3.
What are the key properties of 3-(1-fluoropropyl)-1,3-oxazolidin-2-one?
3-(1-fluoropropyl)-1,3-oxazolidin-2-one has a molecular weight of 147.15 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoropropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 138733898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).