3-methyl-4-(2,2,3,3-tetrafluoropropylsulfonyl)phenol

C10H10F4O3S — CID 23326379

IUPAC3-methyl-4-(2,2,3,3-tetrafluoropropylsulfonyl)phenol
SMILESCc1cc(O)ccc1S(=O)(=O)CC(F)(F)C(F)F
InChIInChI=1S/C10H10F4O3S/c1-6-4-7(15)2-3-8(6)18(16,17)5-10(13,14)9(11)12/h2-4,9,15H,5H2,1H3
InChIKeySTVLLHYETXTJIR-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.37
Rot. Bonds4

About 3-methyl-4-(2,2,3,3-tetrafluoropropylsulfonyl)phenol

3-methyl-4-(2,2,3,3-tetrafluoropropylsulfonyl)phenol (PubChem CID 23326379) has the molecular formula C10H10F4O3S and a molecular weight of 286.25 g/mol. Its IUPAC name is 3-methyl-4-(2,2,3,3-tetrafluoropropylsulfonyl)phenol.

Molecular Properties

Compound Name3-methyl-4-(2,2,3,3-tetrafluoropropylsulfonyl)phenol
PubChem CID23326379
Molecular FormulaC10H10F4O3S
Molecular Weight286.25 g/mol
Exact Mass286.03
IUPAC Name3-methyl-4-(2,2,3,3-tetrafluoropropylsulfonyl)phenol
SMILESCc1cc(O)ccc1S(=O)(=O)CC(F)(F)C(F)F
InChIInChI=1S/C10H10F4O3S/c1-6-4-7(15)2-3-8(6)18(16,17)5-10(13,14)9(11)12/h2-4,9,15H,5H2,1H3
InChIKeySTVLLHYETXTJIR-UHFFFAOYSA-N
XLogP2.37
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2,2,3,3-tetrafluoropropylsulfonyl)phenol?
The IUPAC name of 3-methyl-4-(2,2,3,3-tetrafluoropropylsulfonyl)phenol (CID 23326379) is 3-methyl-4-(2,2,3,3-tetrafluoropropylsulfonyl)phenol.
What is the SMILES notation for 3-methyl-4-(2,2,3,3-tetrafluoropropylsulfonyl)phenol?
The canonical SMILES for 3-methyl-4-(2,2,3,3-tetrafluoropropylsulfonyl)phenol is Cc1cc(O)ccc1S(=O)(=O)CC(F)(F)C(F)F.
What is the InChIKey of 3-methyl-4-(2,2,3,3-tetrafluoropropylsulfonyl)phenol?
The InChIKey is STVLLHYETXTJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O3S/c1-6-4-7(15)2-3-8(6)18(16,17)5-10(13,14)9(11)12/h2-4,9,15H,5H2,1H3.
What are the key properties of 3-methyl-4-(2,2,3,3-tetrafluoropropylsulfonyl)phenol?
3-methyl-4-(2,2,3,3-tetrafluoropropylsulfonyl)phenol has a molecular weight of 286.25 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2,2,3,3-tetrafluoropropylsulfonyl)phenol is sourced from PubChem (CID 23326379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).