5,5,5-trifluoro-2-methyl-4-(methylamino)pentan-2-ol

C7H14F3NO — CID 178143366

IUPAC5,5,5-trifluoro-2-methyl-4-(methylamino)pentan-2-ol
SMILESCNC(CC(C)(C)O)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-6(2,12)4-5(11-3)7(8,9)10/h5,11-12H,4H2,1-3H3
InChIKeyXNCCXAWIJQVMSY-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.30
Rot. Bonds3

About 5,5,5-trifluoro-2-methyl-4-(methylamino)pentan-2-ol

5,5,5-trifluoro-2-methyl-4-(methylamino)pentan-2-ol (PubChem CID 178143366) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 5,5,5-trifluoro-2-methyl-4-(methylamino)pentan-2-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-2-methyl-4-(methylamino)pentan-2-ol
PubChem CID178143366
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name5,5,5-trifluoro-2-methyl-4-(methylamino)pentan-2-ol
SMILESCNC(CC(C)(C)O)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-6(2,12)4-5(11-3)7(8,9)10/h5,11-12H,4H2,1-3H3
InChIKeyXNCCXAWIJQVMSY-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 5,5,5-trifluoro-2-methyl-4-(methylamino)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

Related Compounds

1,1,1-Trifluoro-4-[(propan-2-yl)amino]-2-(trifluoromethyl)butan-2-ol
CID 71418338
(3R)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-2-ol
CID 59458429
(3S)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-2-ol
CID 59459249
1,1,1-Trifluoro-2-methyl-4-(methylamino)butan-2-ol
CID 80559452
1,1,1-Trifluoro-4-(methylamino)-2-(trifluoromethyl)pentan-2-ol
CID 101772932
1,1,1-Trifluoro-2-methyl-4-(methylamino)pentan-2-ol
CID 117736611
(5R)-5-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 130184830
3-(Tert-butylamino)-1-(trifluoromethyl)cyclobutan-1-ol
CID 134166297
3-(Methylamino)-1-(trifluoromethyl)cyclobutan-1-ol
CID 134367353
3-(2-Methylpentan-2-ylamino)-1-(trifluoromethyl)cyclobutan-1-ol
CID 138581103
(3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol
CID 143471626
1,1,1-Trifluoro-4-(methylamino)-2-(trifluoromethyl)butan-2-ol
CID 155122296

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-2-methyl-4-(methylamino)pentan-2-ol?
The IUPAC name of 5,5,5-trifluoro-2-methyl-4-(methylamino)pentan-2-ol (CID 178143366) is 5,5,5-trifluoro-2-methyl-4-(methylamino)pentan-2-ol.
What is the SMILES notation for 5,5,5-trifluoro-2-methyl-4-(methylamino)pentan-2-ol?
The canonical SMILES for 5,5,5-trifluoro-2-methyl-4-(methylamino)pentan-2-ol is CNC(CC(C)(C)O)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-2-methyl-4-(methylamino)pentan-2-ol?
The InChIKey is XNCCXAWIJQVMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-6(2,12)4-5(11-3)7(8,9)10/h5,11-12H,4H2,1-3H3.
What are the key properties of 5,5,5-trifluoro-2-methyl-4-(methylamino)pentan-2-ol?
5,5,5-trifluoro-2-methyl-4-(methylamino)pentan-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 5,5,5-trifluoro-2-methyl-4-(methylamino)pentan-2-ol is sourced from PubChem (CID 178143366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).