1,1,1-trifluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol

C8H12F3NO2 — CID 127008809

IUPAC1,1,1-trifluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol
SMILESOC(CN1CC2CC1CO2)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)7(13)3-12-2-6-1-5(12)4-14-6/h5-7,13H,1-4H2
InChIKeyZMEDTUGZPWEBHF-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.38
Rot. Bonds2

About 1,1,1-trifluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol

1,1,1-trifluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol (PubChem CID 127008809) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol
PubChem CID127008809
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name1,1,1-trifluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol
SMILESOC(CN1CC2CC1CO2)C(F)(F)F
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)7(13)3-12-2-6-1-5(12)4-14-6/h5-7,13H,1-4H2
InChIKeyZMEDTUGZPWEBHF-UHFFFAOYSA-N
XLogP0.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol (CID 127008809) is 1,1,1-trifluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol is OC(CN1CC2CC1CO2)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol?
The InChIKey is ZMEDTUGZPWEBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)7(13)3-12-2-6-1-5(12)4-14-6/h5-7,13H,1-4H2.
What are the key properties of 1,1,1-trifluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol?
1,1,1-trifluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol has a molecular weight of 211.18 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol is sourced from PubChem (CID 127008809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).