2,2-difluoro-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfonylethanol

C14H2F12O3S — CID 19804803

IUPAC2,2-difluoro-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfonylethanol
SMILESO=S(=O)(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H2F12O3S/c15-2-1(3(16)5(18)6(19)4(2)17)13(27)14(25,26)30(28,29)12-10(23)8(21)7(20)9(22)11(12)24/h13,27H
InChIKeyRVNHRNWCTLOIGM-UHFFFAOYSA-N
MW478.21 g/mol
LogP4.18
Rot. Bonds4

About 2,2-difluoro-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfonylethanol

2,2-difluoro-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfonylethanol (PubChem CID 19804803) has the molecular formula C14H2F12O3S and a molecular weight of 478.21 g/mol. Its IUPAC name is 2,2-difluoro-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfonylethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfonylethanol
PubChem CID19804803
Molecular FormulaC14H2F12O3S
Molecular Weight478.21 g/mol
Exact Mass477.95
IUPAC Name2,2-difluoro-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfonylethanol
SMILESO=S(=O)(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H2F12O3S/c15-2-1(3(16)5(18)6(19)4(2)17)13(27)14(25,26)30(28,29)12-10(23)8(21)7(20)9(22)11(12)24/h13,27H
InChIKeyRVNHRNWCTLOIGM-UHFFFAOYSA-N
XLogP4.18
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.21
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,2-difluoro-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfonylethanol 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 2,2-difluoro-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfonylethanol?
The IUPAC name of 2,2-difluoro-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfonylethanol (CID 19804803) is 2,2-difluoro-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfonylethanol.
What is the SMILES notation for 2,2-difluoro-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfonylethanol?
The canonical SMILES for 2,2-difluoro-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfonylethanol is O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)C(F)(F)C(O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,2-difluoro-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfonylethanol?
The InChIKey is RVNHRNWCTLOIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H2F12O3S/c15-2-1(3(16)5(18)6(19)4(2)17)13(27)14(25,26)30(28,29)12-10(23)8(21)7(20)9(22)11(12)24/h13,27H.
What are the key properties of 2,2-difluoro-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfonylethanol?
2,2-difluoro-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfonylethanol has a molecular weight of 478.21 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(2,3,4,5,6-pentafluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfonylethanol is sourced from PubChem (CID 19804803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).