2-methyl-3-(2,2,2-trifluoroethylamino)butan-2-ol

C7H14F3NO — CID 65332779

IUPAC2-methyl-3-(2,2,2-trifluoroethylamino)butan-2-ol
SMILESCC(NCC(F)(F)F)C(C)(C)O
InChIInChI=1S/C7H14F3NO/c1-5(6(2,3)12)11-4-7(8,9)10/h5,11-12H,4H2,1-3H3
InChIKeyCBJQCJZXRWCQJA-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.30
Rot. Bonds3

About 2-methyl-3-(2,2,2-trifluoroethylamino)butan-2-ol

2-methyl-3-(2,2,2-trifluoroethylamino)butan-2-ol (PubChem CID 65332779) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-methyl-3-(2,2,2-trifluoroethylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-(2,2,2-trifluoroethylamino)butan-2-ol
PubChem CID65332779
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name2-methyl-3-(2,2,2-trifluoroethylamino)butan-2-ol
SMILESCC(NCC(F)(F)F)C(C)(C)O
InChIInChI=1S/C7H14F3NO/c1-5(6(2,3)12)11-4-7(8,9)10/h5,11-12H,4H2,1-3H3
InChIKeyCBJQCJZXRWCQJA-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-(2,2,2-trifluoroethylamino)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,2,2-trifluoroethylamino)butan-2-ol?
The IUPAC name of 2-methyl-3-(2,2,2-trifluoroethylamino)butan-2-ol (CID 65332779) is 2-methyl-3-(2,2,2-trifluoroethylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-3-(2,2,2-trifluoroethylamino)butan-2-ol?
The canonical SMILES for 2-methyl-3-(2,2,2-trifluoroethylamino)butan-2-ol is CC(NCC(F)(F)F)C(C)(C)O.
What is the InChIKey of 2-methyl-3-(2,2,2-trifluoroethylamino)butan-2-ol?
The InChIKey is CBJQCJZXRWCQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-5(6(2,3)12)11-4-7(8,9)10/h5,11-12H,4H2,1-3H3.
What are the key properties of 2-methyl-3-(2,2,2-trifluoroethylamino)butan-2-ol?
2-methyl-3-(2,2,2-trifluoroethylamino)butan-2-ol has a molecular weight of 185.19 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,2-trifluoroethylamino)butan-2-ol is sourced from PubChem (CID 65332779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).