1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol

C8H16F3NO2 — CID 43166139

IUPAC1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESCC(C)NCC(O)COCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-6(2)12-3-7(13)4-14-5-8(9,10)11/h6-7,12-13H,3-5H2,1-2H3
InChIKeyLYFNKUUPQWCOGC-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.92
Rot. Bonds6

About 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol

1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol (PubChem CID 43166139) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol
PubChem CID43166139
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESCC(C)NCC(O)COCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-6(2)12-3-7(13)4-14-5-8(9,10)11/h6-7,12-13H,3-5H2,1-2H3
InChIKeyLYFNKUUPQWCOGC-UHFFFAOYSA-N
XLogP0.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The IUPAC name of 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol (CID 43166139) is 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol is CC(C)NCC(O)COCC(F)(F)F.
What is the InChIKey of 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The InChIKey is LYFNKUUPQWCOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-6(2)12-3-7(13)4-14-5-8(9,10)11/h6-7,12-13H,3-5H2,1-2H3.
What are the key properties of 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol has a molecular weight of 215.21 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol is sourced from PubChem (CID 43166139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).