3-(3,3-difluoroazetidin-1-yl)sulfonyl-5-(trifluoromethyl)phenol

C10H8F5NO3S — CID 165368796

IUPAC3-(3,3-difluoroazetidin-1-yl)sulfonyl-5-(trifluoromethyl)phenol
SMILESO=S(=O)(c1cc(O)cc(C(F)(F)F)c1)N1CC(F)(F)C1
InChIInChI=1S/C10H8F5NO3S/c11-9(12)4-16(5-9)20(18,19)8-2-6(10(13,14)15)1-7(17)3-8/h1-3,17H,4-5H2
InChIKeyNOULYZJMSYDEBD-UHFFFAOYSA-N
MW317.24 g/mol
LogP2.05
Rot. Bonds2

About 3-(3,3-difluoroazetidin-1-yl)sulfonyl-5-(trifluoromethyl)phenol

3-(3,3-difluoroazetidin-1-yl)sulfonyl-5-(trifluoromethyl)phenol (PubChem CID 165368796) has the molecular formula C10H8F5NO3S and a molecular weight of 317.24 g/mol. Its IUPAC name is 3-(3,3-difluoroazetidin-1-yl)sulfonyl-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-(3,3-difluoroazetidin-1-yl)sulfonyl-5-(trifluoromethyl)phenol
PubChem CID165368796
Molecular FormulaC10H8F5NO3S
Molecular Weight317.24 g/mol
Exact Mass317.01
IUPAC Name3-(3,3-difluoroazetidin-1-yl)sulfonyl-5-(trifluoromethyl)phenol
SMILESO=S(=O)(c1cc(O)cc(C(F)(F)F)c1)N1CC(F)(F)C1
InChIInChI=1S/C10H8F5NO3S/c11-9(12)4-16(5-9)20(18,19)8-2-6(10(13,14)15)1-7(17)3-8/h1-3,17H,4-5H2
InChIKeyNOULYZJMSYDEBD-UHFFFAOYSA-N
XLogP2.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoroazetidin-1-yl)sulfonyl-5-(trifluoromethyl)phenol?
The IUPAC name of 3-(3,3-difluoroazetidin-1-yl)sulfonyl-5-(trifluoromethyl)phenol (CID 165368796) is 3-(3,3-difluoroazetidin-1-yl)sulfonyl-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-(3,3-difluoroazetidin-1-yl)sulfonyl-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-(3,3-difluoroazetidin-1-yl)sulfonyl-5-(trifluoromethyl)phenol is O=S(=O)(c1cc(O)cc(C(F)(F)F)c1)N1CC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluoroazetidin-1-yl)sulfonyl-5-(trifluoromethyl)phenol?
The InChIKey is NOULYZJMSYDEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO3S/c11-9(12)4-16(5-9)20(18,19)8-2-6(10(13,14)15)1-7(17)3-8/h1-3,17H,4-5H2.
What are the key properties of 3-(3,3-difluoroazetidin-1-yl)sulfonyl-5-(trifluoromethyl)phenol?
3-(3,3-difluoroazetidin-1-yl)sulfonyl-5-(trifluoromethyl)phenol has a molecular weight of 317.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoroazetidin-1-yl)sulfonyl-5-(trifluoromethyl)phenol is sourced from PubChem (CID 165368796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).