1-(1-amino-3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol

C11H21F3N2O — CID 112737655

IUPAC1-(1-amino-3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC(C)(C)C(CN)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-9(2,3)8(6-15)16-5-4-10(17,7-16)11(12,13)14/h8,17H,4-7,15H2,1-3H3
InChIKeyXCAQNQACJRGLRH-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.36
Rot. Bonds2

About 1-(1-amino-3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol

1-(1-amino-3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 112737655) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(1-amino-3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1-amino-3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID112737655
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name1-(1-amino-3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC(C)(C)C(CN)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-9(2,3)8(6-15)16-5-4-10(17,7-16)11(12,13)14/h8,17H,4-7,15H2,1-3H3
InChIKeyXCAQNQACJRGLRH-UHFFFAOYSA-N
XLogP1.36
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-amino-3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-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

2-Methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butan-2-ol
CID 65337886
3,3-Dimethyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]butan-2-ol
CID 71855469
(2S)-3,3-dimethyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]butan-2-ol
CID 97055502
(2R)-3,3-dimethyl-1-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]butan-2-ol
CID 97055503
(2S)-3,3-dimethyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]butan-2-ol
CID 97055504
(2R)-3,3-dimethyl-1-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]butan-2-ol
CID 97055505
1-(3-Amino-1,1,1-trifluoropentan-2-yl)-3-methylpyrrolidin-3-ol
CID 103355364
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-3-ol
CID 103355380
1-(3-Amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol
CID 103355540
1-(4-Amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol
CID 103355587
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol
CID 103366498
1-(4-Amino-2,2-dimethylpentan-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737654

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(1-amino-3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol (CID 112737655) is 1-(1-amino-3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1-amino-3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1-amino-3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol is CC(C)(C)C(CN)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-(1-amino-3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is XCAQNQACJRGLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9(2,3)8(6-15)16-5-4-10(17,7-16)11(12,13)14/h8,17H,4-7,15H2,1-3H3.
What are the key properties of 1-(1-amino-3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
1-(1-amino-3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 254.30 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 112737655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).