2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine

C12H14F3NO — CID 77131939

IUPAC2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine
SMILESCOc1ccc(C(F)(F)F)cc1C1CCCN1
InChIInChI=1S/C12H14F3NO/c1-17-11-5-4-8(12(13,14)15)7-9(11)10-3-2-6-16-10/h4-5,7,10,16H,2-3,6H2,1H3
InChIKeyTULCXHGCEWSQAT-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.14
Rot. Bonds2

About 2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine

2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 77131939) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID77131939
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine
SMILESCOc1ccc(C(F)(F)F)cc1C1CCCN1
InChIInChI=1S/C12H14F3NO/c1-17-11-5-4-8(12(13,14)15)7-9(11)10-3-2-6-16-10/h4-5,7,10,16H,2-3,6H2,1H3
InChIKeyTULCXHGCEWSQAT-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-methoxy-4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195272
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
(2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
CID 66519435
(2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
CID 171196000
4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline
CID 66518354
2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine
CID 103693387
(2R)-2-[2,5-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196002
4-methoxy-3-pyrrolidin-2-ylphenol
CID 55297215
2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine
CID 117371991
2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine
CID 84688515
(2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196029
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine (CID 77131939) is 2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine is COc1ccc(C(F)(F)F)cc1C1CCCN1.
What is the InChIKey of 2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is TULCXHGCEWSQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-17-11-5-4-8(12(13,14)15)7-9(11)10-3-2-6-16-10/h4-5,7,10,16H,2-3,6H2,1H3.
What are the key properties of 2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine?
2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 245.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 77131939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).