2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine

C12H14F3N — CID 103693387

IUPAC2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine
SMILESCc1cc(C(F)(F)F)ccc1C1CCCN1
InChIInChI=1S/C12H14F3N/c1-8-7-9(12(13,14)15)4-5-10(8)11-3-2-6-16-11/h4-5,7,11,16H,2-3,6H2,1H3
InChIKeyWYAXJNNCFPVREV-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.44
Rot. Bonds1

About 2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine

2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 103693387) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID103693387
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine
SMILESCc1cc(C(F)(F)F)ccc1C1CCCN1
InChIInChI=1S/C12H14F3N/c1-8-7-9(12(13,14)15)4-5-10(8)11-3-2-6-16-11/h4-5,7,11,16H,2-3,6H2,1H3
InChIKeyWYAXJNNCFPVREV-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196029
(2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
CID 66519435
(2R)-2-[2,5-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196002
2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine
CID 77131939
2-(4-chloro-2-methylphenyl)pyrrolidine
CID 55268605
(2S)-2-[2-methoxy-4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195272
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
2-[2-methyl-4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid;hydrochloride
CID 140555403
(2S)-2-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 66519451
(2S)-2-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine
CID 66519102
2-(azepan-2-yl)-4-(trifluoromethyl)benzonitrile
CID 141175039
(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196381

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine (CID 103693387) is 2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine is Cc1cc(C(F)(F)F)ccc1C1CCCN1.
What is the InChIKey of 2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is WYAXJNNCFPVREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-8-7-9(12(13,14)15)4-5-10(8)11-3-2-6-16-11/h4-5,7,11,16H,2-3,6H2,1H3.
What are the key properties of 2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine?
2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 229.25 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 103693387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).