[4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone

C18H17F2NO3 — CID 70788889

IUPAC[4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone
SMILESCc1ccccc1OC1CN(C(=O)c2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C18H17F2NO3/c1-12-4-2-3-5-16(12)23-15-10-21(11-15)17(22)13-6-8-14(9-7-13)24-18(19)20/h2-9,15,18H,10-11H2,1H3
InChIKeyPMQXTDBSQWOZHY-UHFFFAOYSA-N
MW333.33 g/mol
LogP3.50
Rot. Bonds5

About [4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone

[4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone (PubChem CID 70788889) has the molecular formula C18H17F2NO3 and a molecular weight of 333.33 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone
PubChem CID70788889
Molecular FormulaC18H17F2NO3
Molecular Weight333.33 g/mol
Exact Mass333.12
IUPAC Name[4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone
SMILESCc1ccccc1OC1CN(C(=O)c2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C18H17F2NO3/c1-12-4-2-3-5-16(12)23-15-10-21(11-15)17(22)13-6-8-14(9-7-13)24-18(19)20/h2-9,15,18H,10-11H2,1H3
InChIKeyPMQXTDBSQWOZHY-UHFFFAOYSA-N
XLogP3.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methylphenoxy)azetidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 56756894
[3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 70774161
[3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 70742909
2-[1-[4-(difluoromethoxy)benzoyl]azetidin-3-yl]acetic acid
CID 64605420
phenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone
CID 59577311
[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 38387477
[3-(2-tert-butylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone
CID 126490501
(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 63390547
2-(3-methoxyphenoxy)-1-[3-(2-methylphenoxy)azetidin-1-yl]propan-1-one
CID 70773882
4-[3-(2-tert-butylphenoxy)azetidine-1-carbonyl]benzoic acid
CID 59577192
[3-(4-fluoro-3-methylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone
CID 134794607
[4-(difluoromethoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559882

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone?
The IUPAC name of [4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone (CID 70788889) is [4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone is Cc1ccccc1OC1CN(C(=O)c2ccc(OC(F)F)cc2)C1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone?
The InChIKey is PMQXTDBSQWOZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3/c1-12-4-2-3-5-16(12)23-15-10-21(11-15)17(22)13-6-8-14(9-7-13)24-18(19)20/h2-9,15,18H,10-11H2,1H3.
What are the key properties of [4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone?
[4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone has a molecular weight of 333.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone is sourced from PubChem (CID 70788889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).