3-[4-(1,1-difluoropropyl)phenyl]azetidine

C12H15F2N — CID 116991909

IUPAC3-[4-(1,1-difluoropropyl)phenyl]azetidine
SMILESCCC(F)(F)c1ccc(C2CNC2)cc1
InChIInChI=1S/C12H15F2N/c1-2-12(13,14)11-5-3-9(4-6-11)10-7-15-8-10/h3-6,10,15H,2,7-8H2,1H3
InChIKeyPZDMIBKQYUXNRZ-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.88
Rot. Bonds3

About 3-[4-(1,1-difluoropropyl)phenyl]azetidine

3-[4-(1,1-difluoropropyl)phenyl]azetidine (PubChem CID 116991909) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 3-[4-(1,1-difluoropropyl)phenyl]azetidine.

Molecular Properties

Compound Name3-[4-(1,1-difluoropropyl)phenyl]azetidine
PubChem CID116991909
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name3-[4-(1,1-difluoropropyl)phenyl]azetidine
SMILESCCC(F)(F)c1ccc(C2CNC2)cc1
InChIInChI=1S/C12H15F2N/c1-2-12(13,14)11-5-3-9(4-6-11)10-7-15-8-10/h3-6,10,15H,2,7-8H2,1H3
InChIKeyPZDMIBKQYUXNRZ-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,1-difluoropropyl)phenyl]azetidine?
The IUPAC name of 3-[4-(1,1-difluoropropyl)phenyl]azetidine (CID 116991909) is 3-[4-(1,1-difluoropropyl)phenyl]azetidine.
What is the SMILES notation for 3-[4-(1,1-difluoropropyl)phenyl]azetidine?
The canonical SMILES for 3-[4-(1,1-difluoropropyl)phenyl]azetidine is CCC(F)(F)c1ccc(C2CNC2)cc1.
What is the InChIKey of 3-[4-(1,1-difluoropropyl)phenyl]azetidine?
The InChIKey is PZDMIBKQYUXNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-2-12(13,14)11-5-3-9(4-6-11)10-7-15-8-10/h3-6,10,15H,2,7-8H2,1H3.
What are the key properties of 3-[4-(1,1-difluoropropyl)phenyl]azetidine?
3-[4-(1,1-difluoropropyl)phenyl]azetidine has a molecular weight of 211.25 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,1-difluoropropyl)phenyl]azetidine is sourced from PubChem (CID 116991909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).