3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol

C7H13F3N2O — CID 83915933

IUPAC3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
SMILESNCC1(O)CCN(CC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)5-12-2-1-6(13,3-11)4-12/h13H,1-5,11H2
InChIKeyOCXQNCXLLPWCAI-UHFFFAOYSA-N
MW198.19 g/mol
LogP-0.06
Rot. Bonds2

About 3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol

3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol (PubChem CID 83915933) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
PubChem CID83915933
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
SMILESNCC1(O)CCN(CC(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)5-12-2-1-6(13,3-11)4-12/h13H,1-5,11H2
InChIKeyOCXQNCXLLPWCAI-UHFFFAOYSA-N
XLogP-0.06
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Trifluoromethyl)pyrrolidin-3-ol
CID 50990624
3-(Trifluoromethyl)pyrrolidin-3-ol hydrochloride
CID 54594885
3-(Difluoromethyl)pyrrolidin-3-ol hydrochloride
CID 121552524
(3S)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 52420888
(3R)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 52420890
1-Methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 59504971
3-(Difluoromethyl)pyrrolidin-3-ol
CID 71756932
(3R)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 94910943
(3S)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 94910944
Azane;3-(trifluoromethyl)pyrrolidin-3-ol
CID 121304840
1-Ethyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 124199965
4,4-Difluoro-3-methylpyrrolidin-3-ol
CID 166166240

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol?
The IUPAC name of 3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol (CID 83915933) is 3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol is NCC1(O)CCN(CC(F)(F)F)C1.
What is the InChIKey of 3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol?
The InChIKey is OCXQNCXLLPWCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c8-7(9,10)5-12-2-1-6(13,3-11)4-12/h13H,1-5,11H2.
What are the key properties of 3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol?
3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol has a molecular weight of 198.19 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol is sourced from PubChem (CID 83915933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).