3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine

C10H9ClF3NO — CID 139510289

IUPAC3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine
SMILESFC(F)(F)Oc1ccc(C2CNC2)c(Cl)c1
InChIInChI=1S/C10H9ClF3NO/c11-9-3-7(16-10(12,13)14)1-2-8(9)6-4-15-5-6/h1-3,6,15H,4-5H2
InChIKeyHRFNFMILJKQAJG-UHFFFAOYSA-N
MW251.63 g/mol
LogP2.93
Rot. Bonds2

About 3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine

3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine (PubChem CID 139510289) has the molecular formula C10H9ClF3NO and a molecular weight of 251.63 g/mol. Its IUPAC name is 3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine.

Molecular Properties

Compound Name3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine
PubChem CID139510289
Molecular FormulaC10H9ClF3NO
Molecular Weight251.63 g/mol
Exact Mass251.03
IUPAC Name3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine
SMILESFC(F)(F)Oc1ccc(C2CNC2)c(Cl)c1
InChIInChI=1S/C10H9ClF3NO/c11-9-3-7(16-10(12,13)14)1-2-8(9)6-4-15-5-6/h1-3,6,15H,4-5H2
InChIKeyHRFNFMILJKQAJG-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine?
The IUPAC name of 3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine (CID 139510289) is 3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine.
What is the SMILES notation for 3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine?
The canonical SMILES for 3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine is FC(F)(F)Oc1ccc(C2CNC2)c(Cl)c1.
What is the InChIKey of 3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine?
The InChIKey is HRFNFMILJKQAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c11-9-3-7(16-10(12,13)14)1-2-8(9)6-4-15-5-6/h1-3,6,15H,4-5H2.
What are the key properties of 3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine?
3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine has a molecular weight of 251.63 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-(trifluoromethoxy)phenyl]azetidine is sourced from PubChem (CID 139510289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).