3-(3,4-difluorophenoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]azetidine

C17H14F5NO — CID 134790701

IUPAC3-(3,4-difluorophenoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]azetidine
SMILESFc1ccc(OC2CN(Cc3ccc(C(F)(F)F)cc3)C2)cc1F
InChIInChI=1S/C17H14F5NO/c18-15-6-5-13(7-16(15)19)24-14-9-23(10-14)8-11-1-3-12(4-2-11)17(20,21)22/h1-7,14H,8-10H2
InChIKeyZBJBKCHMBPEFJC-UHFFFAOYSA-N
MW343.30 g/mol
LogP4.25
Rot. Bonds4

About 3-(3,4-difluorophenoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]azetidine

3-(3,4-difluorophenoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]azetidine (PubChem CID 134790701) has the molecular formula C17H14F5NO and a molecular weight of 343.30 g/mol. Its IUPAC name is 3-(3,4-difluorophenoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]azetidine.

Molecular Properties

Compound Name3-(3,4-difluorophenoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]azetidine
PubChem CID134790701
Molecular FormulaC17H14F5NO
Molecular Weight343.30 g/mol
Exact Mass343.10
IUPAC Name3-(3,4-difluorophenoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]azetidine
SMILESFc1ccc(OC2CN(Cc3ccc(C(F)(F)F)cc3)C2)cc1F
InChIInChI=1S/C17H14F5NO/c18-15-6-5-13(7-16(15)19)24-14-9-23(10-14)8-11-1-3-12(4-2-11)17(20,21)22/h1-7,14H,8-10H2
InChIKeyZBJBKCHMBPEFJC-UHFFFAOYSA-N
XLogP4.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]azetidine?
The IUPAC name of 3-(3,4-difluorophenoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]azetidine (CID 134790701) is 3-(3,4-difluorophenoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]azetidine.
What is the SMILES notation for 3-(3,4-difluorophenoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]azetidine?
The canonical SMILES for 3-(3,4-difluorophenoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]azetidine is Fc1ccc(OC2CN(Cc3ccc(C(F)(F)F)cc3)C2)cc1F.
What is the InChIKey of 3-(3,4-difluorophenoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]azetidine?
The InChIKey is ZBJBKCHMBPEFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5NO/c18-15-6-5-13(7-16(15)19)24-14-9-23(10-14)8-11-1-3-12(4-2-11)17(20,21)22/h1-7,14H,8-10H2.
What are the key properties of 3-(3,4-difluorophenoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]azetidine?
3-(3,4-difluorophenoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]azetidine has a molecular weight of 343.30 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenoxy)-1-[[4-(trifluoromethyl)phenyl]methyl]azetidine is sourced from PubChem (CID 134790701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).