1-(3,5-difluoro-4-methylphenyl)-3-propan-2-yloxyazetidine

C13H17F2NO — CID 134166790

IUPAC1-(3,5-difluoro-4-methylphenyl)-3-propan-2-yloxyazetidine
SMILESCc1c(F)cc(N2CC(OC(C)C)C2)cc1F
InChIInChI=1S/C13H17F2NO/c1-8(2)17-11-6-16(7-11)10-4-12(14)9(3)13(15)5-10/h4-5,8,11H,6-7H2,1-3H3
InChIKeyBREYNGIAXZQSKB-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.89
Rot. Bonds3

About 1-(3,5-difluoro-4-methylphenyl)-3-propan-2-yloxyazetidine

1-(3,5-difluoro-4-methylphenyl)-3-propan-2-yloxyazetidine (PubChem CID 134166790) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-methylphenyl)-3-propan-2-yloxyazetidine.

Molecular Properties

Compound Name1-(3,5-difluoro-4-methylphenyl)-3-propan-2-yloxyazetidine
PubChem CID134166790
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-(3,5-difluoro-4-methylphenyl)-3-propan-2-yloxyazetidine
SMILESCc1c(F)cc(N2CC(OC(C)C)C2)cc1F
InChIInChI=1S/C13H17F2NO/c1-8(2)17-11-6-16(7-11)10-4-12(14)9(3)13(15)5-10/h4-5,8,11H,6-7H2,1-3H3
InChIKeyBREYNGIAXZQSKB-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-methylphenyl)-3-propan-2-yloxyazetidine?
The IUPAC name of 1-(3,5-difluoro-4-methylphenyl)-3-propan-2-yloxyazetidine (CID 134166790) is 1-(3,5-difluoro-4-methylphenyl)-3-propan-2-yloxyazetidine.
What is the SMILES notation for 1-(3,5-difluoro-4-methylphenyl)-3-propan-2-yloxyazetidine?
The canonical SMILES for 1-(3,5-difluoro-4-methylphenyl)-3-propan-2-yloxyazetidine is Cc1c(F)cc(N2CC(OC(C)C)C2)cc1F.
What is the InChIKey of 1-(3,5-difluoro-4-methylphenyl)-3-propan-2-yloxyazetidine?
The InChIKey is BREYNGIAXZQSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-8(2)17-11-6-16(7-11)10-4-12(14)9(3)13(15)5-10/h4-5,8,11H,6-7H2,1-3H3.
What are the key properties of 1-(3,5-difluoro-4-methylphenyl)-3-propan-2-yloxyazetidine?
1-(3,5-difluoro-4-methylphenyl)-3-propan-2-yloxyazetidine has a molecular weight of 241.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-methylphenyl)-3-propan-2-yloxyazetidine is sourced from PubChem (CID 134166790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).