3-(2,3-difluorophenyl)-1-propan-2-ylazetidine

C12H15F2N — CID 169030280

IUPAC3-(2,3-difluorophenyl)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(c2cccc(F)c2F)C1
InChIInChI=1S/C12H15F2N/c1-8(2)15-6-9(7-15)10-4-3-5-11(13)12(10)14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyQJYCGXBDRWTFBW-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.77
Rot. Bonds2

About 3-(2,3-difluorophenyl)-1-propan-2-ylazetidine

3-(2,3-difluorophenyl)-1-propan-2-ylazetidine (PubChem CID 169030280) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-1-propan-2-ylazetidine
PubChem CID169030280
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name3-(2,3-difluorophenyl)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(c2cccc(F)c2F)C1
InChIInChI=1S/C12H15F2N/c1-8(2)15-6-9(7-15)10-4-3-5-11(13)12(10)14/h3-5,8-9H,6-7H2,1-2H3
InChIKeyQJYCGXBDRWTFBW-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-1-propan-2-ylazetidine?
The IUPAC name of 3-(2,3-difluorophenyl)-1-propan-2-ylazetidine (CID 169030280) is 3-(2,3-difluorophenyl)-1-propan-2-ylazetidine.
What is the SMILES notation for 3-(2,3-difluorophenyl)-1-propan-2-ylazetidine?
The canonical SMILES for 3-(2,3-difluorophenyl)-1-propan-2-ylazetidine is CC(C)N1CC(c2cccc(F)c2F)C1.
What is the InChIKey of 3-(2,3-difluorophenyl)-1-propan-2-ylazetidine?
The InChIKey is QJYCGXBDRWTFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-8(2)15-6-9(7-15)10-4-3-5-11(13)12(10)14/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 3-(2,3-difluorophenyl)-1-propan-2-ylazetidine?
3-(2,3-difluorophenyl)-1-propan-2-ylazetidine has a molecular weight of 211.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-1-propan-2-ylazetidine is sourced from PubChem (CID 169030280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).