3,3-difluoro-1-[2-(4-propan-2-ylphenoxy)ethyl]azetidine

C14H19F2NO — CID 59551775

IUPAC3,3-difluoro-1-[2-(4-propan-2-ylphenoxy)ethyl]azetidine
SMILESCC(C)c1ccc(OCCN2CC(F)(F)C2)cc1
InChIInChI=1S/C14H19F2NO/c1-11(2)12-3-5-13(6-4-12)18-8-7-17-9-14(15,16)10-17/h3-6,11H,7-10H2,1-2H3
InChIKeySZIHHORDMIFNTD-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.14
Rot. Bonds5

About 3,3-difluoro-1-[2-(4-propan-2-ylphenoxy)ethyl]azetidine

3,3-difluoro-1-[2-(4-propan-2-ylphenoxy)ethyl]azetidine (PubChem CID 59551775) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 3,3-difluoro-1-[2-(4-propan-2-ylphenoxy)ethyl]azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-[2-(4-propan-2-ylphenoxy)ethyl]azetidine
PubChem CID59551775
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name3,3-difluoro-1-[2-(4-propan-2-ylphenoxy)ethyl]azetidine
SMILESCC(C)c1ccc(OCCN2CC(F)(F)C2)cc1
InChIInChI=1S/C14H19F2NO/c1-11(2)12-3-5-13(6-4-12)18-8-7-17-9-14(15,16)10-17/h3-6,11H,7-10H2,1-2H3
InChIKeySZIHHORDMIFNTD-UHFFFAOYSA-N
XLogP3.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 161147503
CID 161147503
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6-(4-propan-2-ylphenoxy)hexan-1-ol
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4-fluoro-4-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine
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CID 129166789

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[2-(4-propan-2-ylphenoxy)ethyl]azetidine?
The IUPAC name of 3,3-difluoro-1-[2-(4-propan-2-ylphenoxy)ethyl]azetidine (CID 59551775) is 3,3-difluoro-1-[2-(4-propan-2-ylphenoxy)ethyl]azetidine.
What is the SMILES notation for 3,3-difluoro-1-[2-(4-propan-2-ylphenoxy)ethyl]azetidine?
The canonical SMILES for 3,3-difluoro-1-[2-(4-propan-2-ylphenoxy)ethyl]azetidine is CC(C)c1ccc(OCCN2CC(F)(F)C2)cc1.
What is the InChIKey of 3,3-difluoro-1-[2-(4-propan-2-ylphenoxy)ethyl]azetidine?
The InChIKey is SZIHHORDMIFNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-11(2)12-3-5-13(6-4-12)18-8-7-17-9-14(15,16)10-17/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 3,3-difluoro-1-[2-(4-propan-2-ylphenoxy)ethyl]azetidine?
3,3-difluoro-1-[2-(4-propan-2-ylphenoxy)ethyl]azetidine has a molecular weight of 255.31 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[2-(4-propan-2-ylphenoxy)ethyl]azetidine is sourced from PubChem (CID 59551775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).