6-fluoro-3,3-dimethylspiro[1,5,6,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-7,1'-cyclopropane]

C10H16FNO — CID 151461262

IUPAC6-fluoro-3,3-dimethylspiro[1,5,6,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-7,1'-cyclopropane]
SMILESCC1(C)OCC2N1CC(F)C21CC1
InChIInChI=1S/C10H16FNO/c1-9(2)12-5-7(11)10(3-4-10)8(12)6-13-9/h7-8H,3-6H2,1-2H3
InChIKeyPIMWRQWKKMLOMI-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.56
Rot. Bonds

About 6-fluoro-3,3-dimethylspiro[1,5,6,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-7,1'-cyclopropane]

6-fluoro-3,3-dimethylspiro[1,5,6,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-7,1'-cyclopropane] (PubChem CID 151461262) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 6-fluoro-3,3-dimethylspiro[1,5,6,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-7,1'-cyclopropane].

Molecular Properties

Compound Name6-fluoro-3,3-dimethylspiro[1,5,6,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-7,1'-cyclopropane]
PubChem CID151461262
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name6-fluoro-3,3-dimethylspiro[1,5,6,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-7,1'-cyclopropane]
SMILESCC1(C)OCC2N1CC(F)C21CC1
InChIInChI=1S/C10H16FNO/c1-9(2)12-5-7(11)10(3-4-10)8(12)6-13-9/h7-8H,3-6H2,1-2H3
InChIKeyPIMWRQWKKMLOMI-UHFFFAOYSA-N
XLogP1.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-3,3-dimethylspiro[1,5,6,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-7,1'-cyclopropane] with MolForge

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Related Compounds

(6S,7R,7aS)-6-fluoro-7-(fluoromethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470020
(6S,7aS)-6-ethyl-6-fluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 141470022
(7S,7aS)-7-(2-fluoroethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470027
(7R,7aS)-6-fluoro-7-(methoxymethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470029
(7S,7aS)-7-ethyl-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 141470030
(6R,7R,7aS)-6-fluoro-7-(fluoromethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470032
(6S,7aS)-6-fluoro-6-(fluoromethyl)-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 141470038
(6R,7S,7aS)-6-fluoro-7-(2-fluoroethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470039
(6S,7S,7aS)-7-ethyl-6-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470045
(6S,7S,7aS)-6-fluoro-7-(2-fluoroethyl)-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
CID 141470046
(6S,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 151473201
(2R,8S)-2-fluoro-8-[(2-methylpropan-2-yl)oxymethyl]spiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]
CID 169315109

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,3-dimethylspiro[1,5,6,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-7,1'-cyclopropane]?
The IUPAC name of 6-fluoro-3,3-dimethylspiro[1,5,6,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-7,1'-cyclopropane] (CID 151461262) is 6-fluoro-3,3-dimethylspiro[1,5,6,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-7,1'-cyclopropane].
What is the SMILES notation for 6-fluoro-3,3-dimethylspiro[1,5,6,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-7,1'-cyclopropane]?
The canonical SMILES for 6-fluoro-3,3-dimethylspiro[1,5,6,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-7,1'-cyclopropane] is CC1(C)OCC2N1CC(F)C21CC1.
What is the InChIKey of 6-fluoro-3,3-dimethylspiro[1,5,6,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-7,1'-cyclopropane]?
The InChIKey is PIMWRQWKKMLOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-9(2)12-5-7(11)10(3-4-10)8(12)6-13-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 6-fluoro-3,3-dimethylspiro[1,5,6,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-7,1'-cyclopropane]?
6-fluoro-3,3-dimethylspiro[1,5,6,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-7,1'-cyclopropane] has a molecular weight of 185.24 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,3-dimethylspiro[1,5,6,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-7,1'-cyclopropane] is sourced from PubChem (CID 151461262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).