2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline

C11H13F3N2 — CID 66519144

IUPAC2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline
SMILESNc1c([C@@H]2CCCN2)cccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2/c12-11(13,14)8-4-1-3-7(10(8)15)9-5-2-6-16-9/h1,3-4,9,16H,2,5-6,15H2/t9-/m0/s1
InChIKeyOZTSRGGJMXJOBU-VIFPVBQESA-N
MW230.23 g/mol
LogP2.71
Rot. Bonds1

About 2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline

2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline (PubChem CID 66519144) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline
PubChem CID66519144
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline
SMILESNc1c([C@@H]2CCCN2)cccc1C(F)(F)F
InChIInChI=1S/C11H13F3N2/c12-11(13,14)8-4-1-3-7(10(8)15)9-5-2-6-16-9/h1,3-4,9,16H,2,5-6,15H2/t9-/m0/s1
InChIKeyOZTSRGGJMXJOBU-VIFPVBQESA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196381
(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195018
(2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine
CID 126961273
(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195572
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195066
(2S)-2-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 66519451
3-[(2S)-piperidin-2-yl]benzene-1,2-diamine
CID 55296112
(2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196029
2-amino-3-pyrrolidin-2-ylbenzamide
CID 18403954
(2R)-2-[2,5-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196002
2-pyrrolidin-2-ylaniline;dihydrochloride
CID 66519278
2-[(2R)-pyrrolidin-2-yl]benzenethiol
CID 66518323

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline (CID 66519144) is 2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline is Nc1c([C@@H]2CCCN2)cccc1C(F)(F)F.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline?
The InChIKey is OZTSRGGJMXJOBU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13F3N2/c12-11(13,14)8-4-1-3-7(10(8)15)9-5-2-6-16-9/h1,3-4,9,16H,2,5-6,15H2/t9-/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline?
2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline has a molecular weight of 230.23 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline is sourced from PubChem (CID 66519144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).