2-(2,3,4,5,6-pentafluorophenyl)azetidine

C9H6F5N — CID 71751503

IUPAC2-(2,3,4,5,6-pentafluorophenyl)azetidine
SMILESFc1c(F)c(F)c(C2CCN2)c(F)c1F
InChIInChI=1S/C9H6F5N/c10-5-4(3-1-2-15-3)6(11)8(13)9(14)7(5)12/h3,15H,1-2H2
InChIKeyYGZLDMFLVBQBAO-UHFFFAOYSA-N
MW223.14 g/mol
LogP2.42
Rot. Bonds1

About 2-(2,3,4,5,6-pentafluorophenyl)azetidine

2-(2,3,4,5,6-pentafluorophenyl)azetidine (PubChem CID 71751503) has the molecular formula C9H6F5N and a molecular weight of 223.14 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenyl)azetidine.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenyl)azetidine
PubChem CID71751503
Molecular FormulaC9H6F5N
Molecular Weight223.14 g/mol
Exact Mass223.04
IUPAC Name2-(2,3,4,5,6-pentafluorophenyl)azetidine
SMILESFc1c(F)c(F)c(C2CCN2)c(F)c1F
InChIInChI=1S/C9H6F5N/c10-5-4(3-1-2-15-3)6(11)8(13)9(14)7(5)12/h3,15H,1-2H2
InChIKeyYGZLDMFLVBQBAO-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.14
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)azetidine?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)azetidine (CID 71751503) is 2-(2,3,4,5,6-pentafluorophenyl)azetidine.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenyl)azetidine?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenyl)azetidine is Fc1c(F)c(F)c(C2CCN2)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenyl)azetidine?
The InChIKey is YGZLDMFLVBQBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5N/c10-5-4(3-1-2-15-3)6(11)8(13)9(14)7(5)12/h3,15H,1-2H2.
What are the key properties of 2-(2,3,4,5,6-pentafluorophenyl)azetidine?
2-(2,3,4,5,6-pentafluorophenyl)azetidine has a molecular weight of 223.14 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenyl)azetidine is sourced from PubChem (CID 71751503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).