(2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine

C12H14F3NO2 — CID 171196183

IUPAC(2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine
SMILESCOc1cc(OC(F)(F)F)ccc1[C@H]1CCCN1
InChIInChI=1S/C12H14F3NO2/c1-17-11-7-8(18-12(13,14)15)4-5-9(11)10-3-2-6-16-10/h4-5,7,10,16H,2-3,6H2,1H3/t10-/m1/s1
InChIKeyFHLRDYSMHQWCAP-SNVBAGLBSA-N
MW261.24 g/mol
LogP3.02
Rot. Bonds3

About (2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine

(2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine (PubChem CID 171196183) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is (2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine
PubChem CID171196183
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name(2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine
SMILESCOc1cc(OC(F)(F)F)ccc1[C@H]1CCCN1
InChIInChI=1S/C12H14F3NO2/c1-17-11-7-8(18-12(13,14)15)4-5-9(11)10-3-2-6-16-10/h4-5,7,10,16H,2-3,6H2,1H3/t10-/m1/s1
InChIKeyFHLRDYSMHQWCAP-SNVBAGLBSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
CID 171196000
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361
2-[(2S)-pyrrolidin-2-yl]-4-(trifluoromethoxy)phenol
CID 171196437
(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine
CID 171195260
(2S)-2-[2-methoxy-4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195272
2-[5-methyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]pyrrolidine
CID 21364515
(2S)-2-[2-fluoro-5-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 171195261
(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
CID 96773994
(4R)-4-[2-methoxy-4-(trifluoromethoxy)phenyl]-1,3-oxazinan-2-one
CID 171185420
2-(3-methoxynaphthalen-2-yl)pyrrolidine
CID 4540361
2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine
CID 77131939

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine?
The IUPAC name of (2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine (CID 171196183) is (2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine?
The canonical SMILES for (2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine is COc1cc(OC(F)(F)F)ccc1[C@H]1CCCN1.
What is the InChIKey of (2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine?
The InChIKey is FHLRDYSMHQWCAP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-17-11-7-8(18-12(13,14)15)4-5-9(11)10-3-2-6-16-10/h4-5,7,10,16H,2-3,6H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine?
(2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine has a molecular weight of 261.24 g/mol, XLogP of 3.02, 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-4-(trifluoromethoxy)phenyl]pyrrolidine is sourced from PubChem (CID 171196183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).