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

C10H19F3N2O — CID 103366482

IUPAC2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol
SMILESNCC(CN1CCC(CCO)C1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)9(5-14)7-15-3-1-8(6-15)2-4-16/h8-9,16H,1-7,14H2
InChIKeyNINDBNGQAPHPHN-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.83
Rot. Bonds5

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

2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol (PubChem CID 103366482) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol
PubChem CID103366482
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol
SMILESNCC(CN1CCC(CCO)C1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)9(5-14)7-15-3-1-8(6-15)2-4-16/h8-9,16H,1-7,14H2
InChIKeyNINDBNGQAPHPHN-UHFFFAOYSA-N
XLogP0.83
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-Difluoro-2-(pyrrolidin-3-yl)ethan-1-ol
CID 60006963
2-(4-Fluoropyrrolidin-3-yl)ethanol
CID 67769752
2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol
CID 91602738
3,3,3-Trifluoro-2-pyrrolidin-3-ylpropan-1-ol
CID 143016514
2-[3-Amino-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]ethanol
CID 83916917
2-[2-(Trifluoromethyl)pyrrolidin-3-yl]ethanol
CID 84073090
[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
[1-(4-Amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102778107
[1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-2-yl]methanol
CID 103366193
[1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]methanol
CID 103366442
1-[1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol
CID 103366443

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol (CID 103366482) is 2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol is NCC(CN1CCC(CCO)C1)C(F)(F)F.
What is the InChIKey of 2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol?
The InChIKey is NINDBNGQAPHPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)9(5-14)7-15-3-1-8(6-15)2-4-16/h8-9,16H,1-7,14H2.
What are the key properties of 2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol?
2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol has a molecular weight of 240.27 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 103366482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).