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

C15H19F2NO2 — CID 79086911

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1F)C1CN2CCCC2CO1
InChIInChI=1S/C15H19F2NO2/c16-11-4-3-10(13(17)7-11)6-14(19)15-8-18-5-1-2-12(18)9-20-15/h3-4,7,12,14-15,19H,1-2,5-6,8-9H2
InChIKeyGNFPPFUEVKLGTP-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.73
Rot. Bonds3

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

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,4-difluorophenyl)ethanol (PubChem CID 79086911) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,4-difluorophenyl)ethanol
PubChem CID79086911
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1F)C1CN2CCCC2CO1
InChIInChI=1S/C15H19F2NO2/c16-11-4-3-10(13(17)7-11)6-14(19)15-8-18-5-1-2-12(18)9-20-15/h3-4,7,12,14-15,19H,1-2,5-6,8-9H2
InChIKeyGNFPPFUEVKLGTP-UHFFFAOYSA-N
XLogP1.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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)-2-(2,4-difluorophenyl)ethanol?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,4-difluorophenyl)ethanol (CID 79086911) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,4-difluorophenyl)ethanol is OC(Cc1ccc(F)cc1F)C1CN2CCCC2CO1.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,4-difluorophenyl)ethanol?
The InChIKey is GNFPPFUEVKLGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c16-11-4-3-10(13(17)7-11)6-14(19)15-8-18-5-1-2-12(18)9-20-15/h3-4,7,12,14-15,19H,1-2,5-6,8-9H2.
What are the key properties of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,4-difluorophenyl)ethanol?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,4-difluorophenyl)ethanol has a molecular weight of 283.32 g/mol, XLogP of 1.73, 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)-2-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 79086911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).