5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol

C9H16F4O4S — CID 103473986

IUPAC5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol
SMILESCS(=O)(=O)CCCC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C9H16F4O4S/c1-18(15,16)4-2-3-7(14)5-17-6-9(12,13)8(10)11/h7-8,14H,2-6H2,1H3
InChIKeyIHWHTJMITJMVED-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.09
Rot. Bonds9

About 5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol

5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol (PubChem CID 103473986) has the molecular formula C9H16F4O4S and a molecular weight of 296.28 g/mol. Its IUPAC name is 5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol.

Molecular Properties

Compound Name5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol
PubChem CID103473986
Molecular FormulaC9H16F4O4S
Molecular Weight296.28 g/mol
Exact Mass296.07
IUPAC Name5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol
SMILESCS(=O)(=O)CCCC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C9H16F4O4S/c1-18(15,16)4-2-3-7(14)5-17-6-9(12,13)8(10)11/h7-8,14H,2-6H2,1H3
InChIKeyIHWHTJMITJMVED-UHFFFAOYSA-N
XLogP1.09
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol?
The IUPAC name of 5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol (CID 103473986) is 5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol.
What is the SMILES notation for 5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol?
The canonical SMILES for 5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol is CS(=O)(=O)CCCC(O)COCC(F)(F)C(F)F.
What is the InChIKey of 5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol?
The InChIKey is IHWHTJMITJMVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F4O4S/c1-18(15,16)4-2-3-7(14)5-17-6-9(12,13)8(10)11/h7-8,14H,2-6H2,1H3.
What are the key properties of 5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol?
5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol has a molecular weight of 296.28 g/mol, XLogP of 1.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol is sourced from PubChem (CID 103473986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).