1-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol

C10H19F3N2O — CID 103366443

IUPAC1-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CC(CN)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-7(16)8-2-3-15(5-8)6-9(4-14)10(11,12)13/h7-9,16H,2-6,14H2,1H3
InChIKeyHJSHLIXKANUXNL-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.83
Rot. Bonds4

About 1-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol

1-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol (PubChem CID 103366443) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol
PubChem CID103366443
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(CC(CN)C(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-7(16)8-2-3-15(5-8)6-9(4-14)10(11,12)13/h7-9,16H,2-6,14H2,1H3
InChIKeyHJSHLIXKANUXNL-UHFFFAOYSA-N
XLogP0.83
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-Trifluoro-1-(pyrrolidin-3-yl)ethan-1-ol hydrochloride
CID 90204416
4-Methyl-1-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pentan-3-ol
CID 71921429
2,2,2-Trifluoro-1-(pyrrolidin-3-yl)ethan-1-ol
CID 49760531
(1S)-2,2,2-trifluoro-1-[(3R)-pyrrolidin-3-yl]ethanol
CID 60006904
(1S)-2,2-difluoro-1-[(3R)-pyrrolidin-3-yl]ethanol
CID 60006942
(1S)-2,2-difluoro-1-[(3R)-pyrrolidin-3-yl]propan-1-ol
CID 60006961
2,2-Difluoro-1-(pyrrolidin-3-yl)ethan-1-ol
CID 60007047
2,2,2-Trifluoro-1-(1-methylpyrrolidin-3-yl)ethanol
CID 60007123
2,2-Difluoro-1-pyrrolidin-3-ylpropan-1-ol
CID 60007136
1-(4-Fluoropyrrolidin-3-yl)ethanol
CID 67769747
1-(2,2-Difluoropyrrolidin-3-yl)ethanol
CID 69798619
1-(1-Tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol
CID 118880823

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol (CID 103366443) is 1-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(CC(CN)C(F)(F)F)C1.
What is the InChIKey of 1-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol?
The InChIKey is HJSHLIXKANUXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-7(16)8-2-3-15(5-8)6-9(4-14)10(11,12)13/h7-9,16H,2-6,14H2,1H3.
What are the key properties of 1-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol?
1-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol has a molecular weight of 240.27 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 103366443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).