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

C6H11ClF3NO — CID 66802911

IUPAC3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)COC1CCNC1
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)4-11-5-1-2-10-3-5;/h5,10H,1-4H2;1H
InChIKeyPHTRRYMVXCCRMZ-UHFFFAOYSA-N
MW205.61 g/mol
LogP1.35
Rot. Bonds2

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

3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride (PubChem CID 66802911) has the molecular formula C6H11ClF3NO and a molecular weight of 205.61 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride
PubChem CID66802911
Molecular FormulaC6H11ClF3NO
Molecular Weight205.61 g/mol
Exact Mass205.05
IUPAC Name3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride
SMILESCl.FC(F)(F)COC1CCNC1
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)4-11-5-1-2-10-3-5;/h5,10H,1-4H2;1H
InChIKeyPHTRRYMVXCCRMZ-UHFFFAOYSA-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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Related Compounds

(3R)-3-(1-Methylethoxy)pyrrolidine
CID 68339378
5-Methyl-2-(trifluoromethyl)-1,3-oxazolidine
CID 207924
(3S)-3-ethoxypyrrolidine
CID 11116030
(3R)-3-methoxypyrrolidine hydrochloride
CID 45789898
(S)-3-methoxypyrrolidine hydrochloride
CID 45789911
3-(Trifluoromethoxy)pyrrolidine hydrochloride
CID 75530505
4,4-Difluoropyrrolidin-3-ol hydrochloride
CID 89539070
(3R)-3-(difluoromethoxy)pyrrolidine
CID 97300413
(3S)-3-(difluoromethoxy)pyrrolidine
CID 97300414
(3S)-3-(trifluoromethoxy)pyrrolidine hydrochloride
CID 117588017
(3R)-3-(trifluoromethoxy)pyrrolidine hydrochloride
CID 117588051
rac-(3R,4R)-3-fluoro-4-methoxypyrrolidine hydrochloride
CID 119053418

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride?
The IUPAC name of 3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride (CID 66802911) is 3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride is Cl.FC(F)(F)COC1CCNC1.
What is the InChIKey of 3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride?
The InChIKey is PHTRRYMVXCCRMZ-UHFFFAOYSA-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.
What are the key properties of 3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride?
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 3-(2,2,2-trifluoroethoxy)pyrrolidine;hydrochloride is sourced from PubChem (CID 66802911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).