3-[2,2-difluoro-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]azetidine

C12H11F6N — CID 146589281

IUPAC3-[2,2-difluoro-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]azetidine
SMILESFc1cc(C(F)(F)F)ccc1C(F)(F)CC1CNC1
InChIInChI=1S/C12H11F6N/c13-10-3-8(12(16,17)18)1-2-9(10)11(14,15)4-7-5-19-6-7/h1-3,7,19H,4-6H2
InChIKeyBLBQJARXDTUQQK-UHFFFAOYSA-N
MW283.22 g/mol
LogP3.55
Rot. Bonds3

About 3-[2,2-difluoro-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]azetidine

3-[2,2-difluoro-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]azetidine (PubChem CID 146589281) has the molecular formula C12H11F6N and a molecular weight of 283.22 g/mol. Its IUPAC name is 3-[2,2-difluoro-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]azetidine.

Molecular Properties

Compound Name3-[2,2-difluoro-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]azetidine
PubChem CID146589281
Molecular FormulaC12H11F6N
Molecular Weight283.22 g/mol
Exact Mass283.08
IUPAC Name3-[2,2-difluoro-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]azetidine
SMILESFc1cc(C(F)(F)F)ccc1C(F)(F)CC1CNC1
InChIInChI=1S/C12H11F6N/c13-10-3-8(12(16,17)18)1-2-9(10)11(14,15)4-7-5-19-6-7/h1-3,7,19H,4-6H2
InChIKeyBLBQJARXDTUQQK-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[2,2-difluoro-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoro-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]azetidine?
The IUPAC name of 3-[2,2-difluoro-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]azetidine (CID 146589281) is 3-[2,2-difluoro-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]azetidine.
What is the SMILES notation for 3-[2,2-difluoro-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]azetidine?
The canonical SMILES for 3-[2,2-difluoro-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]azetidine is Fc1cc(C(F)(F)F)ccc1C(F)(F)CC1CNC1.
What is the InChIKey of 3-[2,2-difluoro-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]azetidine?
The InChIKey is BLBQJARXDTUQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6N/c13-10-3-8(12(16,17)18)1-2-9(10)11(14,15)4-7-5-19-6-7/h1-3,7,19H,4-6H2.
What are the key properties of 3-[2,2-difluoro-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]azetidine?
3-[2,2-difluoro-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]azetidine has a molecular weight of 283.22 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoro-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]azetidine is sourced from PubChem (CID 146589281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).