(7R,8aR)-7-fluoro-3,3-dimethyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine

C9H16FNO — CID 146618209

IUPAC(7R,8aR)-7-fluoro-3,3-dimethyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
SMILESCC1(C)CN2C[C@H](F)C[C@@H]2CO1
InChIInChI=1S/C9H16FNO/c1-9(2)6-11-4-7(10)3-8(11)5-12-9/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyGYHGTGQWJQMRTL-HTQZYQBOSA-N
MW173.23 g/mol
LogP1.21
Rot. Bonds

About (7R,8aR)-7-fluoro-3,3-dimethyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine

(7R,8aR)-7-fluoro-3,3-dimethyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine (PubChem CID 146618209) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (7R,8aR)-7-fluoro-3,3-dimethyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name(7R,8aR)-7-fluoro-3,3-dimethyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
PubChem CID146618209
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(7R,8aR)-7-fluoro-3,3-dimethyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine
SMILESCC1(C)CN2C[C@H](F)C[C@@H]2CO1
InChIInChI=1S/C9H16FNO/c1-9(2)6-11-4-7(10)3-8(11)5-12-9/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyGYHGTGQWJQMRTL-HTQZYQBOSA-N
XLogP1.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R,8aR)-7-fluoro-3,3-dimethyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of (7R,8aR)-7-fluoro-3,3-dimethyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine (CID 146618209) is (7R,8aR)-7-fluoro-3,3-dimethyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for (7R,8aR)-7-fluoro-3,3-dimethyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for (7R,8aR)-7-fluoro-3,3-dimethyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine is CC1(C)CN2C[C@H](F)C[C@@H]2CO1.
What is the InChIKey of (7R,8aR)-7-fluoro-3,3-dimethyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine?
The InChIKey is GYHGTGQWJQMRTL-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H16FNO/c1-9(2)6-11-4-7(10)3-8(11)5-12-9/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (7R,8aR)-7-fluoro-3,3-dimethyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine?
(7R,8aR)-7-fluoro-3,3-dimethyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine has a molecular weight of 173.23 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aR)-7-fluoro-3,3-dimethyl-1,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 146618209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).