3-fluoro-3-(2,3,5-trifluorophenyl)azetidine

C9H7F4N — CID 130598143

IUPAC3-fluoro-3-(2,3,5-trifluorophenyl)azetidine
SMILESFc1cc(F)c(F)c(C2(F)CNC2)c1
InChIInChI=1S/C9H7F4N/c10-5-1-6(8(12)7(11)2-5)9(13)3-14-4-9/h1-2,14H,3-4H2
InChIKeyXXENNSYRPUSQTF-UHFFFAOYSA-N
MW205.15 g/mol
LogP1.87
Rot. Bonds1

About 3-fluoro-3-(2,3,5-trifluorophenyl)azetidine

3-fluoro-3-(2,3,5-trifluorophenyl)azetidine (PubChem CID 130598143) has the molecular formula C9H7F4N and a molecular weight of 205.15 g/mol. Its IUPAC name is 3-fluoro-3-(2,3,5-trifluorophenyl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(2,3,5-trifluorophenyl)azetidine
PubChem CID130598143
Molecular FormulaC9H7F4N
Molecular Weight205.15 g/mol
Exact Mass205.05
IUPAC Name3-fluoro-3-(2,3,5-trifluorophenyl)azetidine
SMILESFc1cc(F)c(F)c(C2(F)CNC2)c1
InChIInChI=1S/C9H7F4N/c10-5-1-6(8(12)7(11)2-5)9(13)3-14-4-9/h1-2,14H,3-4H2
InChIKeyXXENNSYRPUSQTF-UHFFFAOYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.15
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2,3,5-trifluorophenyl)azetidine?
The IUPAC name of 3-fluoro-3-(2,3,5-trifluorophenyl)azetidine (CID 130598143) is 3-fluoro-3-(2,3,5-trifluorophenyl)azetidine.
What is the SMILES notation for 3-fluoro-3-(2,3,5-trifluorophenyl)azetidine?
The canonical SMILES for 3-fluoro-3-(2,3,5-trifluorophenyl)azetidine is Fc1cc(F)c(F)c(C2(F)CNC2)c1.
What is the InChIKey of 3-fluoro-3-(2,3,5-trifluorophenyl)azetidine?
The InChIKey is XXENNSYRPUSQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4N/c10-5-1-6(8(12)7(11)2-5)9(13)3-14-4-9/h1-2,14H,3-4H2.
What are the key properties of 3-fluoro-3-(2,3,5-trifluorophenyl)azetidine?
3-fluoro-3-(2,3,5-trifluorophenyl)azetidine has a molecular weight of 205.15 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2,3,5-trifluorophenyl)azetidine is sourced from PubChem (CID 130598143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).