1,1,1-trifluoro-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol

C9H14F3NO2 — CID 80720272

IUPAC1,1,1-trifluoro-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol
SMILESOC(CNC1CC2CCC1O2)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)8(14)4-13-6-3-5-1-2-7(6)15-5/h5-8,13-14H,1-4H2
InChIKeyCAFLKHKQKPZFPA-UHFFFAOYSA-N
MW225.21 g/mol
LogP0.82
Rot. Bonds3

About 1,1,1-trifluoro-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol

1,1,1-trifluoro-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol (PubChem CID 80720272) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol
PubChem CID80720272
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name1,1,1-trifluoro-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol
SMILESOC(CNC1CC2CCC1O2)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)8(14)4-13-6-3-5-1-2-7(6)15-5/h5-8,13-14H,1-4H2
InChIKeyCAFLKHKQKPZFPA-UHFFFAOYSA-N
XLogP0.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol (CID 80720272) is 1,1,1-trifluoro-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol is OC(CNC1CC2CCC1O2)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol?
The InChIKey is CAFLKHKQKPZFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)8(14)4-13-6-3-5-1-2-7(6)15-5/h5-8,13-14H,1-4H2.
What are the key properties of 1,1,1-trifluoro-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol?
1,1,1-trifluoro-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol has a molecular weight of 225.21 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propan-2-ol is sourced from PubChem (CID 80720272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).