3-(trifluoromethoxy)pyrrolidine;hydrochloride

C5H9ClF3NO — CID 75530505

IUPAC3-(trifluoromethoxy)pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)OC1CCNC1
InChIInChI=1S/C5H8F3NO.ClH/c6-5(7,8)10-4-1-2-9-3-4;/h4,9H,1-3H2;1H
InChIKeyIIFGGUFFJXGABG-UHFFFAOYSA-N
MW191.58 g/mol
LogP1.31
Rot. Bonds1

About 3-(trifluoromethoxy)pyrrolidine;hydrochloride

3-(trifluoromethoxy)pyrrolidine;hydrochloride (PubChem CID 75530505) has the molecular formula C5H9ClF3NO and a molecular weight of 191.58 g/mol. Its IUPAC name is 3-(trifluoromethoxy)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethoxy)pyrrolidine;hydrochloride
PubChem CID75530505
Molecular FormulaC5H9ClF3NO
Molecular Weight191.58 g/mol
Exact Mass191.03
IUPAC Name3-(trifluoromethoxy)pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)OC1CCNC1
InChIInChI=1S/C5H8F3NO.ClH/c6-5(7,8)10-4-1-2-9-3-4;/h4,9H,1-3H2;1H
InChIKeyIIFGGUFFJXGABG-UHFFFAOYSA-N
XLogP1.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.58
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)pyrrolidine;hydrochloride?
The IUPAC name of 3-(trifluoromethoxy)pyrrolidine;hydrochloride (CID 75530505) is 3-(trifluoromethoxy)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(trifluoromethoxy)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(trifluoromethoxy)pyrrolidine;hydrochloride is Cl.FC(F)(F)OC1CCNC1.
What is the InChIKey of 3-(trifluoromethoxy)pyrrolidine;hydrochloride?
The InChIKey is IIFGGUFFJXGABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO.ClH/c6-5(7,8)10-4-1-2-9-3-4;/h4,9H,1-3H2;1H.
What are the key properties of 3-(trifluoromethoxy)pyrrolidine;hydrochloride?
3-(trifluoromethoxy)pyrrolidine;hydrochloride has a molecular weight of 191.58 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)pyrrolidine;hydrochloride is sourced from PubChem (CID 75530505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).