3-methoxy-3-(trifluoromethyl)pyrrolidine;hydrochloride

C6H11ClF3NO — CID 126809407

IUPAC3-methoxy-3-(trifluoromethyl)pyrrolidine;hydrochloride
SMILESCOC1(C(F)(F)F)CCNC1.Cl
InChIInChI=1S/C6H10F3NO.ClH/c1-11-5(6(7,8)9)2-3-10-4-5;/h10H,2-4H2,1H3;1H
InChIKeyRVDAWVAMCGEYDM-UHFFFAOYSA-N
MW205.61 g/mol
LogP1.35
Rot. Bonds1

About 3-methoxy-3-(trifluoromethyl)pyrrolidine;hydrochloride

3-methoxy-3-(trifluoromethyl)pyrrolidine;hydrochloride (PubChem CID 126809407) has the molecular formula C6H11ClF3NO and a molecular weight of 205.61 g/mol. Its IUPAC name is 3-methoxy-3-(trifluoromethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-methoxy-3-(trifluoromethyl)pyrrolidine;hydrochloride
PubChem CID126809407
Molecular FormulaC6H11ClF3NO
Molecular Weight205.61 g/mol
Exact Mass205.05
IUPAC Name3-methoxy-3-(trifluoromethyl)pyrrolidine;hydrochloride
SMILESCOC1(C(F)(F)F)CCNC1.Cl
InChIInChI=1S/C6H10F3NO.ClH/c1-11-5(6(7,8)9)2-3-10-4-5;/h10H,2-4H2,1H3;1H
InChIKeyRVDAWVAMCGEYDM-UHFFFAOYSA-N
XLogP1.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 3-methoxy-3-(trifluoromethyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-methoxy-3-(trifluoromethyl)pyrrolidine;hydrochloride (CID 126809407) is 3-methoxy-3-(trifluoromethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-methoxy-3-(trifluoromethyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-methoxy-3-(trifluoromethyl)pyrrolidine;hydrochloride is COC1(C(F)(F)F)CCNC1.Cl.
What is the InChIKey of 3-methoxy-3-(trifluoromethyl)pyrrolidine;hydrochloride?
The InChIKey is RVDAWVAMCGEYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO.ClH/c1-11-5(6(7,8)9)2-3-10-4-5;/h10H,2-4H2,1H3;1H.
What are the key properties of 3-methoxy-3-(trifluoromethyl)pyrrolidine;hydrochloride?
3-methoxy-3-(trifluoromethyl)pyrrolidine;hydrochloride has a molecular weight of 205.61 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(trifluoromethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 126809407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).