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

C8H15F3N2O — CID 83916917

IUPAC2-[3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol
SMILESNC1(CCO)CCN(CC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)6-13-3-1-7(12,5-13)2-4-14/h14H,1-6,12H2
InChIKeyQRIHEAKDTWEILH-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.33
Rot. Bonds3

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

2-[3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol (PubChem CID 83916917) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-[3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol
PubChem CID83916917
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name2-[3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol
SMILESNC1(CCO)CCN(CC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)6-13-3-1-7(12,5-13)2-4-14/h14H,1-6,12H2
InChIKeyQRIHEAKDTWEILH-UHFFFAOYSA-N
XLogP0.33
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R,4S)-3-amino-4-fluoro-1-methylpyrrolidin-3-yl]ethanol
CID 143715176
2-[1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol
CID 103366482
2-[1-(3-Amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol
CID 114797145
2-[1-(3-Amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]ethanol
CID 114797166
2-[1-(3-Amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]ethanol
CID 114797178
2-[1-(4-Amino-1,1,1-trifluorobutan-2-yl)pyrrolidin-3-yl]ethanol
CID 114797228
2-[3-(Methylamino)-1-propan-2-ylpyrrolidin-3-yl]ethanol
CID 65234629
2-[3-(Ethylamino)-1-propan-2-ylpyrrolidin-3-yl]ethanol
CID 65234875
2-[1-Methyl-3-(methylamino)pyrrolidin-3-yl]ethanol
CID 65234922
2-[1-Propan-2-yl-3-(propylamino)pyrrolidin-3-yl]ethanol
CID 65235143
2-[3-(Ethylamino)-1-methylpyrrolidin-3-yl]ethanol
CID 65235168
2-[1-Methyl-3-(propylamino)pyrrolidin-3-yl]ethanol
CID 65235319

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol (CID 83916917) is 2-[3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol is NC1(CCO)CCN(CC(F)(F)F)C1.
What is the InChIKey of 2-[3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol?
The InChIKey is QRIHEAKDTWEILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)6-13-3-1-7(12,5-13)2-4-14/h14H,1-6,12H2.
What are the key properties of 2-[3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol?
2-[3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol has a molecular weight of 212.21 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 83916917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).