3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1,1,1-trifluoropropan-2-ol

C11H19F3N2O2 — CID 79082169

IUPAC3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCC1CN2CCCC2CO1)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)10(17)5-15-4-9-6-16-3-1-2-8(16)7-18-9/h8-10,15,17H,1-7H2
InChIKeyMUMQRHOMKCGLCF-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.36
Rot. Bonds4

About 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1,1,1-trifluoropropan-2-ol

3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 79082169) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID79082169
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCC1CN2CCCC2CO1)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)10(17)5-15-4-9-6-16-3-1-2-8(16)7-18-9/h8-10,15,17H,1-7H2
InChIKeyMUMQRHOMKCGLCF-UHFFFAOYSA-N
XLogP0.36
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1,1,1-trifluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1,1,1-trifluoropropan-2-ol (CID 79082169) is 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1,1,1-trifluoropropan-2-ol is OC(CNCC1CN2CCCC2CO1)C(F)(F)F.
What is the InChIKey of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is MUMQRHOMKCGLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)10(17)5-15-4-9-6-16-3-1-2-8(16)7-18-9/h8-10,15,17H,1-7H2.
What are the key properties of 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1,1,1-trifluoropropan-2-ol?
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 268.28 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 79082169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).