3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine

C10H9ClF3NO — CID 19906223

IUPAC3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine
SMILESFC(F)(F)c1ccc(OC2CNC2)c(Cl)c1
InChIInChI=1S/C10H9ClF3NO/c11-8-3-6(10(12,13)14)1-2-9(8)16-7-4-15-5-7/h1-3,7,15H,4-5H2
InChIKeySFMTULNTEJNJPY-UHFFFAOYSA-N
MW251.63 g/mol
LogP2.71
Rot. Bonds2

About 3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine

3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine (PubChem CID 19906223) has the molecular formula C10H9ClF3NO and a molecular weight of 251.63 g/mol. Its IUPAC name is 3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine.

Molecular Properties

Compound Name3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine
PubChem CID19906223
Molecular FormulaC10H9ClF3NO
Molecular Weight251.63 g/mol
Exact Mass251.03
IUPAC Name3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine
SMILESFC(F)(F)c1ccc(OC2CNC2)c(Cl)c1
InChIInChI=1S/C10H9ClF3NO/c11-8-3-6(10(12,13)14)1-2-9(8)16-7-4-15-5-7/h1-3,7,15H,4-5H2
InChIKeySFMTULNTEJNJPY-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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-(trifluoromethyl)phenoxy]azetidine?
The IUPAC name of 3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine (CID 19906223) is 3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine.
What is the SMILES notation for 3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine?
The canonical SMILES for 3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine is FC(F)(F)c1ccc(OC2CNC2)c(Cl)c1.
What is the InChIKey of 3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine?
The InChIKey is SFMTULNTEJNJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c11-8-3-6(10(12,13)14)1-2-9(8)16-7-4-15-5-7/h1-3,7,15H,4-5H2.
What are the key properties of 3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine?
3-[2-chloro-4-(trifluoromethyl)phenoxy]azetidine has a molecular weight of 251.63 g/mol, XLogP of 2.71, 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-(trifluoromethyl)phenoxy]azetidine is sourced from PubChem (CID 19906223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).