(3R)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-2-ol

C8H13F6NO — CID 59458429

IUPAC(3R)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-2-ol
SMILESCN[C@H](C(C)C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO/c1-4(2)5(15-3)6(16,7(9,10)11)8(12,13)14/h4-5,15-16H,1-3H3/t5-/m1/s1
InChIKeyZSQRAZNZLJDTGW-RXMQYKEDSA-N
MW253.19 g/mol
LogP2.09
Rot. Bonds3

About (3R)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-2-ol

(3R)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-2-ol (PubChem CID 59458429) has the molecular formula C8H13F6NO and a molecular weight of 253.19 g/mol. Its IUPAC name is (3R)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-2-ol.

Molecular Properties

Compound Name(3R)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-2-ol
PubChem CID59458429
Molecular FormulaC8H13F6NO
Molecular Weight253.19 g/mol
Exact Mass253.09
IUPAC Name(3R)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-2-ol
SMILESCN[C@H](C(C)C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO/c1-4(2)5(15-3)6(16,7(9,10)11)8(12,13)14/h4-5,15-16H,1-3H3/t5-/m1/s1
InChIKeyZSQRAZNZLJDTGW-RXMQYKEDSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-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 (3R)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-2-ol?
The IUPAC name of (3R)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-2-ol (CID 59458429) is (3R)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-2-ol.
What is the SMILES notation for (3R)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-2-ol?
The canonical SMILES for (3R)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-2-ol is CN[C@H](C(C)C)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (3R)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-2-ol?
The InChIKey is ZSQRAZNZLJDTGW-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H13F6NO/c1-4(2)5(15-3)6(16,7(9,10)11)8(12,13)14/h4-5,15-16H,1-3H3/t5-/m1/s1.
What are the key properties of (3R)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-2-ol?
(3R)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-2-ol has a molecular weight of 253.19 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-2-ol is sourced from PubChem (CID 59458429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).