(3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride

C6H11ClF3NO — CID 118481606

IUPAC(3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)CO[C@@H]1CCNC1
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)4-11-5-1-2-10-3-5;/h5,10H,1-4H2;1H/t5-;/m1./s1
InChIKeyPHTRRYMVXCCRMZ-NUBCRITNSA-N
MW205.61 g/mol
LogP1.35
Rot. Bonds2

About (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride

(3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride (PubChem CID 118481606) has the molecular formula C6H11ClF3NO and a molecular weight of 205.61 g/mol. Its IUPAC name is (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride
PubChem CID118481606
Molecular FormulaC6H11ClF3NO
Molecular Weight205.61 g/mol
Exact Mass205.05
IUPAC Name(3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)CO[C@@H]1CCNC1
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)4-11-5-1-2-10-3-5;/h5,10H,1-4H2;1H/t5-;/m1./s1
InChIKeyPHTRRYMVXCCRMZ-NUBCRITNSA-N
XLogP1.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.61
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride?
The IUPAC name of (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride (CID 118481606) is (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride.
What is the SMILES notation for (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride?
The canonical SMILES for (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride is Cl.FC(F)(F)CO[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride?
The InChIKey is PHTRRYMVXCCRMZ-NUBCRITNSA-N. The full InChI is InChI=1S/C6H10F3NO.ClH/c7-6(8,9)4-11-5-1-2-10-3-5;/h5,10H,1-4H2;1H/t5-;/m1./s1.
What are the key properties of (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride?
(3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride has a molecular weight of 205.61 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride is sourced from PubChem (CID 118481606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).