(6R,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

C10H16FNO2 — CID 118414157

IUPAC(6R,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESC[C@H]1[C@H]2COC(C)(C)N2C(=O)[C@]1(C)F
InChIInChI=1S/C10H16FNO2/c1-6-7-5-14-9(2,3)12(7)8(13)10(6,4)11/h6-7H,5H2,1-4H3/t6-,7+,10+/m0/s1
InChIKeyADZMIJJJJQIOCU-NYNCVSEMSA-N
MW201.24 g/mol
LogP1.33
Rot. Bonds

About (6R,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

(6R,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 118414157) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is (6R,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name(6R,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID118414157
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name(6R,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESC[C@H]1[C@H]2COC(C)(C)N2C(=O)[C@]1(C)F
InChIInChI=1S/C10H16FNO2/c1-6-7-5-14-9(2,3)12(7)8(13)10(6,4)11/h6-7H,5H2,1-4H3/t6-,7+,10+/m0/s1
InChIKeyADZMIJJJJQIOCU-NYNCVSEMSA-N
XLogP1.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of (6R,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (CID 118414157) is (6R,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for (6R,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for (6R,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is C[C@H]1[C@H]2COC(C)(C)N2C(=O)[C@]1(C)F.
What is the InChIKey of (6R,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is ADZMIJJJJQIOCU-NYNCVSEMSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-6-7-5-14-9(2,3)12(7)8(13)10(6,4)11/h6-7H,5H2,1-4H3/t6-,7+,10+/m0/s1.
What are the key properties of (6R,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
(6R,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 201.24 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S,7aS)-6-fluoro-3,3,6,7-tetramethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 118414157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).