2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline

C11H13F3N2 — CID 117103696

IUPAC2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1C1CCNC1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)8-1-2-9(10(15)5-8)7-3-4-16-6-7/h1-2,5,7,16H,3-4,6,15H2
InChIKeyQUOXLJSOICUNDZ-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.36
Rot. Bonds1

About 2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline

2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline (PubChem CID 117103696) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline
PubChem CID117103696
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1C1CCNC1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)8-1-2-9(10(15)5-8)7-3-4-16-6-7/h1-2,5,7,16H,3-4,6,15H2
InChIKeyQUOXLJSOICUNDZ-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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

3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
CID 83808419
5-bromo-2-pyrrolidin-3-ylaniline
CID 117103702
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 71742224
2-pyrrolidin-3-ylaniline;dihydrochloride
CID 139593328
3-fluoro-4-pyrrolidin-3-ylaniline
CID 22625736
5-fluoro-2-piperidin-4-ylaniline
CID 117103758
3-amino-4-[(3S)-piperidin-3-yl]phenol
CID 130631075
2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-benzothiazole
CID 94917639
4-methyl-2-[(3S)-pyrrolidin-3-yl]aniline
CID 130706409
(3R,4R)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 51353699
(3S,4S)-4-[2-chloro-4-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 69230877

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline?
The IUPAC name of 2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline (CID 117103696) is 2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)ccc1C1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline?
The InChIKey is QUOXLJSOICUNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c12-11(13,14)8-1-2-9(10(15)5-8)7-3-4-16-6-7/h1-2,5,7,16H,3-4,6,15H2.
What are the key properties of 2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline?
2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline has a molecular weight of 230.23 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 117103696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).