3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride

C9H10ClF3N2 — CID 166608984

IUPAC3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride
SMILESCl.NC1(c2cc(F)cc(F)c2F)CNC1
InChIInChI=1S/C9H9F3N2.ClH/c10-5-1-6(8(12)7(11)2-5)9(13)3-14-4-9;/h1-2,14H,3-4,13H2;1H
InChIKeyARNDAYFEGVUXDS-UHFFFAOYSA-N
MW238.64 g/mol
LogP1.28
Rot. Bonds1

About 3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride

3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride (PubChem CID 166608984) has the molecular formula C9H10ClF3N2 and a molecular weight of 238.64 g/mol. Its IUPAC name is 3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride.

Molecular Properties

Compound Name3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride
PubChem CID166608984
Molecular FormulaC9H10ClF3N2
Molecular Weight238.64 g/mol
Exact Mass238.05
IUPAC Name3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride
SMILESCl.NC1(c2cc(F)cc(F)c2F)CNC1
InChIInChI=1S/C9H9F3N2.ClH/c10-5-1-6(8(12)7(11)2-5)9(13)3-14-4-9;/h1-2,14H,3-4,13H2;1H
InChIKeyARNDAYFEGVUXDS-UHFFFAOYSA-N
XLogP1.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluorophenyl)methyl]-1-[2-(methylamino)ethyl]azetidin-3-amine
CID 137638371
2-(4-Fluorophenyl)azetidine
CID 42647381
[2-Amino-2-(4-fluorophenyl)ethyl]dimethylamine
CID 16228093
3-Fluoro-3-phenylazetidine hydrochloride
CID 25260052
2-(3-Fluorophenyl)azetidine
CID 54595834
3-(4-Fluorophenyl)azetidine hydrochloride
CID 55250937
3-(2-Fluorophenyl)azetidine hydrochloride
CID 55253472
2-(3,5-Difluorophenyl)azetidine
CID 55283267
2-(3,4-Difluorophenyl)azetidine
CID 55283447
2-(2-Fluorophenyl)azetidine
CID 55283643
3-[(2-Fluorophenyl)methyl]azetidine hydrochloride
CID 56811171
3-((4-Fluorophenyl)methyl)azetidine hydrochloride
CID 56828094

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride?
The IUPAC name of 3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride (CID 166608984) is 3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride.
What is the SMILES notation for 3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride?
The canonical SMILES for 3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride is Cl.NC1(c2cc(F)cc(F)c2F)CNC1.
What is the InChIKey of 3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride?
The InChIKey is ARNDAYFEGVUXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2.ClH/c10-5-1-6(8(12)7(11)2-5)9(13)3-14-4-9;/h1-2,14H,3-4,13H2;1H.
What are the key properties of 3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride?
3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride has a molecular weight of 238.64 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride is sourced from PubChem (CID 166608984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).