(2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride

C12H15ClF3NO2 — CID 171196000

IUPAC(2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
SMILESCOc1ccc(OC(F)(F)F)cc1[C@H]1CCCN1.Cl
InChIInChI=1S/C12H14F3NO2.ClH/c1-17-11-5-4-8(18-12(13,14)15)7-9(11)10-3-2-6-16-10;/h4-5,7,10,16H,2-3,6H2,1H3;1H/t10-;/m1./s1
InChIKeyQQRDUVYQIBNLHN-HNCPQSOCSA-N
MW297.70 g/mol
LogP3.44
Rot. Bonds3

About (2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride

(2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride (PubChem CID 171196000) has the molecular formula C12H15ClF3NO2 and a molecular weight of 297.70 g/mol. Its IUPAC name is (2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
PubChem CID171196000
Molecular FormulaC12H15ClF3NO2
Molecular Weight297.70 g/mol
Exact Mass297.07
IUPAC Name(2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
SMILESCOc1ccc(OC(F)(F)F)cc1[C@H]1CCCN1.Cl
InChIInChI=1S/C12H14F3NO2.ClH/c1-17-11-5-4-8(18-12(13,14)15)7-9(11)10-3-2-6-16-10;/h4-5,7,10,16H,2-3,6H2,1H3;1H/t10-;/m1./s1
InChIKeyQQRDUVYQIBNLHN-HNCPQSOCSA-N
XLogP3.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 171196183
(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 171195261
2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol
CID 171196437
2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine
CID 77131939
2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine
CID 21364515
(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine
CID 171195260
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline
CID 66518354
4-methoxy-3-pyrrolidin-2-ylphenol
CID 55297215
2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine
CID 117371991
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine
CID 84688515

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride?
The IUPAC name of (2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride (CID 171196000) is (2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride.
What is the SMILES notation for (2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride?
The canonical SMILES for (2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride is COc1ccc(OC(F)(F)F)cc1[C@H]1CCCN1.Cl.
What is the InChIKey of (2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride?
The InChIKey is QQRDUVYQIBNLHN-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H14F3NO2.ClH/c1-17-11-5-4-8(18-12(13,14)15)7-9(11)10-3-2-6-16-10;/h4-5,7,10,16H,2-3,6H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride?
(2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride has a molecular weight of 297.70 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 171196000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).