2-[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]ethanol

C11H21F3N2O — CID 114797166

IUPAC2-[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]ethanol
SMILESCCC(N)C(N1CCC(CCO)C1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-2-9(15)10(11(12,13)14)16-5-3-8(7-16)4-6-17/h8-10,17H,2-7,15H2,1H3
InChIKeyBTURSLNIULWYHZ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.36
Rot. Bonds5

About 2-[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]ethanol

2-[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]ethanol (PubChem CID 114797166) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]ethanol
PubChem CID114797166
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]ethanol
SMILESCCC(N)C(N1CCC(CCO)C1)C(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-2-9(15)10(11(12,13)14)16-5-3-8(7-16)4-6-17/h8-10,17H,2-7,15H2,1H3
InChIKeyBTURSLNIULWYHZ-UHFFFAOYSA-N
XLogP1.36
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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 2-[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]ethanol 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

(2S)-2-amino-1-[(2R)-4,4-difluoro-2-methylpyrrolidin-1-yl]-3-methylbutan-1-ol
CID 66837420
4-(1,1-Difluoro-2-methoxyethyl)-1-methylpyrrolidin-3-amine
CID 137489575
(2R)-2-amino-1-[cyclopentyl(methyl)amino]-3,3-difluoro-4-methylpentan-1-ol
CID 137496274
4-(1,1-difluoro-2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 146364731
2-[Methyl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 172334699
N-ethyl-4-hydroperoxy-N-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]butan-1-amine
CID 172334995
2-[Propan-2-yl-[[3-(trifluoromethyl)pyrrolidin-2-yl]methyl]amino]ethanol
CID 176601977
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-2-yl]methanol
CID 61407662
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)piperidin-4-yl]methanol
CID 61648235
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methanol
CID 61648236
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-2-yl]methanol
CID 61648296
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-2-yl]methanol
CID 61648297

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]ethanol (CID 114797166) is 2-[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]ethanol is CCC(N)C(N1CCC(CCO)C1)C(F)(F)F.
What is the InChIKey of 2-[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is BTURSLNIULWYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-9(15)10(11(12,13)14)16-5-3-8(7-16)4-6-17/h8-10,17H,2-7,15H2,1H3.
What are the key properties of 2-[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]ethanol?
2-[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 254.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114797166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).