3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine

C12H15F2NO — CID 105484527

IUPAC3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine
SMILESCOc1ccccc1C(F)(F)CC1CNC1
InChIInChI=1S/C12H15F2NO/c1-16-11-5-3-2-4-10(11)12(13,14)6-9-7-15-8-9/h2-5,9,15H,6-8H2,1H3
InChIKeyRWXAJWDMIWZSKL-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.40
Rot. Bonds4

About 3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine

3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine (PubChem CID 105484527) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine.

Molecular Properties

Compound Name3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine
PubChem CID105484527
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine
SMILESCOc1ccccc1C(F)(F)CC1CNC1
InChIInChI=1S/C12H15F2NO/c1-16-11-5-3-2-4-10(11)12(13,14)6-9-7-15-8-9/h2-5,9,15H,6-8H2,1H3
InChIKeyRWXAJWDMIWZSKL-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine?
The IUPAC name of 3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine (CID 105484527) is 3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine.
What is the SMILES notation for 3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine?
The canonical SMILES for 3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine is COc1ccccc1C(F)(F)CC1CNC1.
What is the InChIKey of 3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine?
The InChIKey is RWXAJWDMIWZSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-16-11-5-3-2-4-10(11)12(13,14)6-9-7-15-8-9/h2-5,9,15H,6-8H2,1H3.
What are the key properties of 3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine?
3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine has a molecular weight of 227.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoro-2-(2-methoxyphenyl)ethyl]azetidine is sourced from PubChem (CID 105484527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).