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

C9H18F3NO2 — CID 64804911

IUPAC2-methyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESCC(C)NC(C)(CO)COCC(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-7(2)13-8(3,4-14)5-15-6-9(10,11)12/h7,13-14H,4-6H2,1-3H3
InChIKeyOUMYXFBYTYXYPG-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.31
Rot. Bonds6

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

2-methyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol (PubChem CID 64804911) has the molecular formula C9H18F3NO2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol
PubChem CID64804911
Molecular FormulaC9H18F3NO2
Molecular Weight229.24 g/mol
Exact Mass229.13
IUPAC Name2-methyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESCC(C)NC(C)(CO)COCC(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-7(2)13-8(3,4-14)5-15-6-9(10,11)12/h7,13-14H,4-6H2,1-3H3
InChIKeyOUMYXFBYTYXYPG-UHFFFAOYSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol (CID 64804911) is 2-methyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol is CC(C)NC(C)(CO)COCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The InChIKey is OUMYXFBYTYXYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2/c1-7(2)13-8(3,4-14)5-15-6-9(10,11)12/h7,13-14H,4-6H2,1-3H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
2-methyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol has a molecular weight of 229.24 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol is sourced from PubChem (CID 64804911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).