1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenoxy)azetidine

C18H19F2NO3 — CID 56886222

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenoxy)azetidine
SMILESCOc1ccccc1OC1CN(Cc2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C18H19F2NO3/c1-22-16-4-2-3-5-17(16)23-15-11-21(12-15)10-13-6-8-14(9-7-13)24-18(19)20/h2-9,15,18H,10-12H2,1H3
InChIKeyYLLVOZFZJHCEPK-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.56
Rot. Bonds7

About 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenoxy)azetidine

1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenoxy)azetidine (PubChem CID 56886222) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenoxy)azetidine.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenoxy)azetidine
PubChem CID56886222
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenoxy)azetidine
SMILESCOc1ccccc1OC1CN(Cc2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C18H19F2NO3/c1-22-16-4-2-3-5-17(16)23-15-11-21(12-15)10-13-6-8-14(9-7-13)24-18(19)20/h2-9,15,18H,10-12H2,1H3
InChIKeyYLLVOZFZJHCEPK-UHFFFAOYSA-N
XLogP3.56
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenoxy)azetidine?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenoxy)azetidine (CID 56886222) is 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenoxy)azetidine.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenoxy)azetidine?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenoxy)azetidine is COc1ccccc1OC1CN(Cc2ccc(OC(F)F)cc2)C1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenoxy)azetidine?
The InChIKey is YLLVOZFZJHCEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-22-16-4-2-3-5-17(16)23-15-11-21(12-15)10-13-6-8-14(9-7-13)24-18(19)20/h2-9,15,18H,10-12H2,1H3.
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenoxy)azetidine?
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenoxy)azetidine has a molecular weight of 335.35 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenoxy)azetidine is sourced from PubChem (CID 56886222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).