(7aR)-6-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol

C8H14FNO2 — CID 154965501

IUPAC(7aR)-6-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol
SMILESCC1(C)OC[C@H]2CC(F)C(O)N21
InChIInChI=1S/C8H14FNO2/c1-8(2)10-5(4-12-8)3-6(9)7(10)11/h5-7,11H,3-4H2,1-2H3/t5-,6?,7?/m1/s1
InChIKeyREQHHCVYWNUFKL-GRQBKTHUSA-N
MW175.20 g/mol
LogP0.48
Rot. Bonds

About (7aR)-6-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol

(7aR)-6-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol (PubChem CID 154965501) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is (7aR)-6-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol.

Molecular Properties

Compound Name(7aR)-6-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol
PubChem CID154965501
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name(7aR)-6-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol
SMILESCC1(C)OC[C@H]2CC(F)C(O)N21
InChIInChI=1S/C8H14FNO2/c1-8(2)10-5(4-12-8)3-6(9)7(10)11/h5-7,11H,3-4H2,1-2H3/t5-,6?,7?/m1/s1
InChIKeyREQHHCVYWNUFKL-GRQBKTHUSA-N
XLogP0.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7aR)-6-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol?
The IUPAC name of (7aR)-6-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol (CID 154965501) is (7aR)-6-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol.
What is the SMILES notation for (7aR)-6-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol?
The canonical SMILES for (7aR)-6-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol is CC1(C)OC[C@H]2CC(F)C(O)N21.
What is the InChIKey of (7aR)-6-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol?
The InChIKey is REQHHCVYWNUFKL-GRQBKTHUSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-8(2)10-5(4-12-8)3-6(9)7(10)11/h5-7,11H,3-4H2,1-2H3/t5-,6?,7?/m1/s1.
What are the key properties of (7aR)-6-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol?
(7aR)-6-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol has a molecular weight of 175.20 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-6-fluoro-3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol is sourced from PubChem (CID 154965501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).