3-amino-4-methyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol

C8H16F3NO2 — CID 114357805

IUPAC3-amino-4-methyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol
SMILESCC(C)C(N)C(CO)OCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-5(2)7(12)6(3-13)14-4-8(9,10)11/h5-7,13H,3-4,12H2,1-2H3
InChIKeyDGLBSDJYPPUKMX-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.91
Rot. Bonds5

About 3-amino-4-methyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol

3-amino-4-methyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol (PubChem CID 114357805) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 3-amino-4-methyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol.

Molecular Properties

Compound Name3-amino-4-methyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol
PubChem CID114357805
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name3-amino-4-methyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol
SMILESCC(C)C(N)C(CO)OCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-5(2)7(12)6(3-13)14-4-8(9,10)11/h5-7,13H,3-4,12H2,1-2H3
InChIKeyDGLBSDJYPPUKMX-UHFFFAOYSA-N
XLogP0.91
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol?
The IUPAC name of 3-amino-4-methyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol (CID 114357805) is 3-amino-4-methyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol.
What is the SMILES notation for 3-amino-4-methyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol?
The canonical SMILES for 3-amino-4-methyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol is CC(C)C(N)C(CO)OCC(F)(F)F.
What is the InChIKey of 3-amino-4-methyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol?
The InChIKey is DGLBSDJYPPUKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-5(2)7(12)6(3-13)14-4-8(9,10)11/h5-7,13H,3-4,12H2,1-2H3.
What are the key properties of 3-amino-4-methyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol?
3-amino-4-methyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol has a molecular weight of 215.21 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-2-(2,2,2-trifluoroethoxy)pentan-1-ol is sourced from PubChem (CID 114357805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).