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

C9H17F3N2O — CID 114797178

IUPAC2-[1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]ethanol
SMILESNCC(N1CCC(CCO)C1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)8(5-13)14-3-1-7(6-14)2-4-15/h7-8,15H,1-6,13H2
InChIKeyOQZVLJZGKIKXQE-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.58
Rot. Bonds4

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

2-[1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]ethanol (PubChem CID 114797178) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]ethanol
PubChem CID114797178
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2-[1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]ethanol
SMILESNCC(N1CCC(CCO)C1)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)8(5-13)14-3-1-7(6-14)2-4-15/h7-8,15H,1-6,13H2
InChIKeyOQZVLJZGKIKXQE-UHFFFAOYSA-N
XLogP0.58
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
4-(1,1-difluoro-2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 146364731
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methanol
CID 43752693
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-2-yl]methanol
CID 61407662
[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
2-[3-Amino-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol
CID 83916917
2-[2-(Trifluoromethyl)pyrrolidin-3-yl]ethanol
CID 84073090
2-[2-(2,2,2-Trifluoroethyl)pyrrolidin-3-yl]ethanol
CID 84073116
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102777672
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102777997

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]ethanol (CID 114797178) is 2-[1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]ethanol is NCC(N1CCC(CCO)C1)C(F)(F)F.
What is the InChIKey of 2-[1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is OQZVLJZGKIKXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c10-9(11,12)8(5-13)14-3-1-7(6-14)2-4-15/h7-8,15H,1-6,13H2.
What are the key properties of 2-[1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]ethanol?
2-[1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 226.24 g/mol, XLogP of 0.58, 4 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-trifluoropropan-2-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114797178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).