1-butan-2-yl-3-(2,3-difluorophenyl)azetidin-3-ol

C13H17F2NO — CID 46208007

IUPAC1-butan-2-yl-3-(2,3-difluorophenyl)azetidin-3-ol
SMILESCCC(C)N1CC(O)(c2cccc(F)c2F)C1
InChIInChI=1S/C13H17F2NO/c1-3-9(2)16-7-13(17,8-16)10-5-4-6-11(14)12(10)15/h4-6,9,17H,3,7-8H2,1-2H3
InChIKeyQIVBGKKTRYXXDX-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.27
Rot. Bonds3

About 1-butan-2-yl-3-(2,3-difluorophenyl)azetidin-3-ol

1-butan-2-yl-3-(2,3-difluorophenyl)azetidin-3-ol (PubChem CID 46208007) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-butan-2-yl-3-(2,3-difluorophenyl)azetidin-3-ol.

Molecular Properties

Compound Name1-butan-2-yl-3-(2,3-difluorophenyl)azetidin-3-ol
PubChem CID46208007
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-butan-2-yl-3-(2,3-difluorophenyl)azetidin-3-ol
SMILESCCC(C)N1CC(O)(c2cccc(F)c2F)C1
InChIInChI=1S/C13H17F2NO/c1-3-9(2)16-7-13(17,8-16)10-5-4-6-11(14)12(10)15/h4-6,9,17H,3,7-8H2,1-2H3
InChIKeyQIVBGKKTRYXXDX-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(2,3-difluorophenyl)azetidin-3-ol?
The IUPAC name of 1-butan-2-yl-3-(2,3-difluorophenyl)azetidin-3-ol (CID 46208007) is 1-butan-2-yl-3-(2,3-difluorophenyl)azetidin-3-ol.
What is the SMILES notation for 1-butan-2-yl-3-(2,3-difluorophenyl)azetidin-3-ol?
The canonical SMILES for 1-butan-2-yl-3-(2,3-difluorophenyl)azetidin-3-ol is CCC(C)N1CC(O)(c2cccc(F)c2F)C1.
What is the InChIKey of 1-butan-2-yl-3-(2,3-difluorophenyl)azetidin-3-ol?
The InChIKey is QIVBGKKTRYXXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-3-9(2)16-7-13(17,8-16)10-5-4-6-11(14)12(10)15/h4-6,9,17H,3,7-8H2,1-2H3.
What are the key properties of 1-butan-2-yl-3-(2,3-difluorophenyl)azetidin-3-ol?
1-butan-2-yl-3-(2,3-difluorophenyl)azetidin-3-ol has a molecular weight of 241.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(2,3-difluorophenyl)azetidin-3-ol is sourced from PubChem (CID 46208007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).