(7aR)-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol

C8H13F2NO2 — CID 146621717

IUPAC(7aR)-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol
SMILESCC1(C)OC[C@H]2CC(F)(F)C(O)N21
InChIInChI=1S/C8H13F2NO2/c1-7(2)11-5(4-13-7)3-8(9,10)6(11)12/h5-6,12H,3-4H2,1-2H3/t5-,6?/m1/s1
InChIKeyGNLHTRAQMXERKG-LWOQYNTDSA-N
MW193.19 g/mol
LogP0.78
Rot. Bonds

About (7aR)-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol

(7aR)-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol (PubChem CID 146621717) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is (7aR)-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol.

Molecular Properties

Compound Name(7aR)-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol
PubChem CID146621717
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name(7aR)-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol
SMILESCC1(C)OC[C@H]2CC(F)(F)C(O)N21
InChIInChI=1S/C8H13F2NO2/c1-7(2)11-5(4-13-7)3-8(9,10)6(11)12/h5-6,12H,3-4H2,1-2H3/t5-,6?/m1/s1
InChIKeyGNLHTRAQMXERKG-LWOQYNTDSA-N
XLogP0.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7aR)-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol?
The IUPAC name of (7aR)-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol (CID 146621717) is (7aR)-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol.
What is the SMILES notation for (7aR)-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol?
The canonical SMILES for (7aR)-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol is CC1(C)OC[C@H]2CC(F)(F)C(O)N21.
What is the InChIKey of (7aR)-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol?
The InChIKey is GNLHTRAQMXERKG-LWOQYNTDSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-7(2)11-5(4-13-7)3-8(9,10)6(11)12/h5-6,12H,3-4H2,1-2H3/t5-,6?/m1/s1.
What are the key properties of (7aR)-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol?
(7aR)-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol has a molecular weight of 193.19 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-ol is sourced from PubChem (CID 146621717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).