3-(2,2,2-trifluoroethyl)pyrrolidine;hydrochloride

C6H11ClF3N — CID 50988606

IUPAC3-(2,2,2-trifluoroethyl)pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)CC1CCNC1
InChIInChI=1S/C6H10F3N.ClH/c7-6(8,9)3-5-1-2-10-4-5;/h5,10H,1-4H2;1H
InChIKeyHUYFAOPHHUVGEM-UHFFFAOYSA-N
MW189.61 g/mol
LogP1.97
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)pyrrolidine;hydrochloride

3-(2,2,2-trifluoroethyl)pyrrolidine;hydrochloride (PubChem CID 50988606) has the molecular formula C6H11ClF3N and a molecular weight of 189.61 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)pyrrolidine;hydrochloride
PubChem CID50988606
Molecular FormulaC6H11ClF3N
Molecular Weight189.61 g/mol
Exact Mass189.05
IUPAC Name3-(2,2,2-trifluoroethyl)pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)CC1CCNC1
InChIInChI=1S/C6H10F3N.ClH/c7-6(8,9)3-5-1-2-10-4-5;/h5,10H,1-4H2;1H
InChIKeyHUYFAOPHHUVGEM-UHFFFAOYSA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.61
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(Trifluoromethyl)piperidine hydrochloride
CID 16218160
3-(Trifluoromethyl)pyrrolidine hydrochloride
CID 17749759
1,1-Difluoro-5-azaspiro(2.4)heptane hydrochloride
CID 45158910
6,6-Difluoro-3-azabicyclo[3.1.0]hexane hydrochloride
CID 45158912
(1R,5S,6S)-6-(trifluoromethyl)-3-azabicyclo(3.1.0)hexane hydrochloride
CID 45792565
4-(Difluoromethyl)piperidine hydrochloride
CID 53346560
3-(2-Fluoroethyl)pyrrolidine
CID 53409225
4-(2,2-Difluoroethyl)piperidine hydrochloride
CID 70086459
3-(Difluoromethyl)pyrrolidine hydrochloride
CID 71755614
3-Ethylpyrrolidine hydrochloride
CID 71755796
4-(2,2,2-Trifluoroethyl)piperidine hydrochloride
CID 71755865
3-(Fluoromethyl)pyrrolidine hydrochloride
CID 84716215

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(2,2,2-trifluoroethyl)pyrrolidine;hydrochloride (CID 50988606) is 3-(2,2,2-trifluoroethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)pyrrolidine;hydrochloride is Cl.FC(F)(F)CC1CCNC1.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)pyrrolidine;hydrochloride?
The InChIKey is HUYFAOPHHUVGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N.ClH/c7-6(8,9)3-5-1-2-10-4-5;/h5,10H,1-4H2;1H.
What are the key properties of 3-(2,2,2-trifluoroethyl)pyrrolidine;hydrochloride?
3-(2,2,2-trifluoroethyl)pyrrolidine;hydrochloride has a molecular weight of 189.61 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 50988606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).