3-[3-(difluoromethyl)-5-fluorophenoxy]azetidine

C10H10F3NO — CID 166023641

IUPAC3-[3-(difluoromethyl)-5-fluorophenoxy]azetidine
SMILESFc1cc(OC2CNC2)cc(C(F)F)c1
InChIInChI=1S/C10H10F3NO/c11-7-1-6(10(12)13)2-8(3-7)15-9-4-14-5-9/h1-3,9-10,14H,4-5H2
InChIKeyPDLZXEUSELXPSY-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.11
Rot. Bonds3

About 3-[3-(difluoromethyl)-5-fluorophenoxy]azetidine

3-[3-(difluoromethyl)-5-fluorophenoxy]azetidine (PubChem CID 166023641) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 3-[3-(difluoromethyl)-5-fluorophenoxy]azetidine.

Molecular Properties

Compound Name3-[3-(difluoromethyl)-5-fluorophenoxy]azetidine
PubChem CID166023641
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name3-[3-(difluoromethyl)-5-fluorophenoxy]azetidine
SMILESFc1cc(OC2CNC2)cc(C(F)F)c1
InChIInChI=1S/C10H10F3NO/c11-7-1-6(10(12)13)2-8(3-7)15-9-4-14-5-9/h1-3,9-10,14H,4-5H2
InChIKeyPDLZXEUSELXPSY-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethyl)-5-fluorophenoxy]azetidine?
The IUPAC name of 3-[3-(difluoromethyl)-5-fluorophenoxy]azetidine (CID 166023641) is 3-[3-(difluoromethyl)-5-fluorophenoxy]azetidine.
What is the SMILES notation for 3-[3-(difluoromethyl)-5-fluorophenoxy]azetidine?
The canonical SMILES for 3-[3-(difluoromethyl)-5-fluorophenoxy]azetidine is Fc1cc(OC2CNC2)cc(C(F)F)c1.
What is the InChIKey of 3-[3-(difluoromethyl)-5-fluorophenoxy]azetidine?
The InChIKey is PDLZXEUSELXPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-7-1-6(10(12)13)2-8(3-7)15-9-4-14-5-9/h1-3,9-10,14H,4-5H2.
What are the key properties of 3-[3-(difluoromethyl)-5-fluorophenoxy]azetidine?
3-[3-(difluoromethyl)-5-fluorophenoxy]azetidine has a molecular weight of 217.19 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethyl)-5-fluorophenoxy]azetidine is sourced from PubChem (CID 166023641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).