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

C11H18F3NO2 — CID 79086724

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4,4,4-trifluorobutan-1-ol
SMILESOC(CCC(F)(F)F)C1CN2CCCC2CO1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)4-3-9(16)10-6-15-5-1-2-8(15)7-17-10/h8-10,16H,1-7H2
InChIKeyZNQQRRJOUHISCW-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.55
Rot. Bonds3

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

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4,4,4-trifluorobutan-1-ol (PubChem CID 79086724) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4,4,4-trifluorobutan-1-ol
PubChem CID79086724
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4,4,4-trifluorobutan-1-ol
SMILESOC(CCC(F)(F)F)C1CN2CCCC2CO1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)4-3-9(16)10-6-15-5-1-2-8(15)7-17-10/h8-10,16H,1-7H2
InChIKeyZNQQRRJOUHISCW-UHFFFAOYSA-N
XLogP1.55
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4,4,4-trifluorobutan-1-ol (CID 79086724) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4,4,4-trifluorobutan-1-ol is OC(CCC(F)(F)F)C1CN2CCCC2CO1.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is ZNQQRRJOUHISCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)4-3-9(16)10-6-15-5-1-2-8(15)7-17-10/h8-10,16H,1-7H2.
What are the key properties of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4,4,4-trifluorobutan-1-ol?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 253.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 79086724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).