6-fluoro-6-(fluoromethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

C9H13F2NO2 — CID 142734595

IUPAC6-fluoro-6-(fluoromethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1(C)OCC2CC(F)(CF)C(=O)N21
InChIInChI=1S/C9H13F2NO2/c1-8(2)12-6(4-14-8)3-9(11,5-10)7(12)13/h6H,3-5H2,1-2H3
InChIKeyKGEKBLDZKMRNCO-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.03
Rot. Bonds1

About 6-fluoro-6-(fluoromethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

6-fluoro-6-(fluoromethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 142734595) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is 6-fluoro-6-(fluoromethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name6-fluoro-6-(fluoromethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID142734595
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Name6-fluoro-6-(fluoromethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1(C)OCC2CC(F)(CF)C(=O)N21
InChIInChI=1S/C9H13F2NO2/c1-8(2)12-6(4-14-8)3-9(11,5-10)7(12)13/h6H,3-5H2,1-2H3
InChIKeyKGEKBLDZKMRNCO-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-6-(fluoromethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-(fluoromethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of 6-fluoro-6-(fluoromethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (CID 142734595) is 6-fluoro-6-(fluoromethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for 6-fluoro-6-(fluoromethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for 6-fluoro-6-(fluoromethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is CC1(C)OCC2CC(F)(CF)C(=O)N21.
What is the InChIKey of 6-fluoro-6-(fluoromethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is KGEKBLDZKMRNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2/c1-8(2)12-6(4-14-8)3-9(11,5-10)7(12)13/h6H,3-5H2,1-2H3.
What are the key properties of 6-fluoro-6-(fluoromethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
6-fluoro-6-(fluoromethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 205.20 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-(fluoromethyl)-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 142734595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).