2-(azetidin-1-yl)-5-(trifluoromethyl)aniline

C10H11F3N2 — CID 58829519

IUPAC2-(azetidin-1-yl)-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1N1CCC1
InChIInChI=1S/C10H11F3N2/c11-10(12,13)7-2-3-9(8(14)6-7)15-4-1-5-15/h2-3,6H,1,4-5,14H2
InChIKeyIFEHOTUGFRFYBN-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.50
Rot. Bonds1

About 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline

2-(azetidin-1-yl)-5-(trifluoromethyl)aniline (PubChem CID 58829519) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(azetidin-1-yl)-5-(trifluoromethyl)aniline
PubChem CID58829519
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name2-(azetidin-1-yl)-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1N1CCC1
InChIInChI=1S/C10H11F3N2/c11-10(12,13)7-2-3-9(8(14)6-7)15-4-1-5-15/h2-3,6H,1,4-5,14H2
InChIKeyIFEHOTUGFRFYBN-UHFFFAOYSA-N
XLogP2.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-amino-4-(trifluoromethyl)phenyl]piperazin-1-yl]-5-(trifluoromethyl)aniline
CID 102226461
2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(trifluoromethyl)aniline
CID 19627015
2-(5-azaspiro[2.3]hexan-5-yl)-5-(trifluoromethyl)aniline
CID 79689199
2-(3-methoxypiperidin-1-yl)-5-(trifluoromethyl)aniline
CID 102955751
1-[2-amino-4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 16784735
1-[4-[2-amino-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2,2,2-trichloroethanone
CID 56737448
1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 106835243
5-(trifluoromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline
CID 114543002
1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]imidazolidin-2-one
CID 89310722
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)aniline
CID 19627017
2-pyrrolidin-1-yl-4-(trifluoromethyl)benzenethiol
CID 144965090
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-(trifluoromethyl)aniline
CID 16774509

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline (CID 58829519) is 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)ccc1N1CCC1.
What is the InChIKey of 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline?
The InChIKey is IFEHOTUGFRFYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c11-10(12,13)7-2-3-9(8(14)6-7)15-4-1-5-15/h2-3,6H,1,4-5,14H2.
What are the key properties of 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline?
2-(azetidin-1-yl)-5-(trifluoromethyl)aniline has a molecular weight of 216.21 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 58829519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).