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

C10H18F4O4S — CID 103474163

IUPAC5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol
SMILESCCS(=O)(=O)CCCC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H18F4O4S/c1-2-19(16,17)5-3-4-8(15)6-18-7-10(13,14)9(11)12/h8-9,15H,2-7H2,1H3
InChIKeyPQKJYCCKIAUWAD-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.48
Rot. Bonds10

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

5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol (PubChem CID 103474163) has the molecular formula C10H18F4O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol.

Molecular Properties

Compound Name5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol
PubChem CID103474163
Molecular FormulaC10H18F4O4S
Molecular Weight310.31 g/mol
Exact Mass310.09
IUPAC Name5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol
SMILESCCS(=O)(=O)CCCC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H18F4O4S/c1-2-19(16,17)5-3-4-8(15)6-18-7-10(13,14)9(11)12/h8-9,15H,2-7H2,1H3
InChIKeyPQKJYCCKIAUWAD-UHFFFAOYSA-N
XLogP1.48
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.48
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-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol?
The IUPAC name of 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol (CID 103474163) is 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol.
What is the SMILES notation for 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol?
The canonical SMILES for 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol is CCS(=O)(=O)CCCC(O)COCC(F)(F)C(F)F.
What is the InChIKey of 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol?
The InChIKey is PQKJYCCKIAUWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F4O4S/c1-2-19(16,17)5-3-4-8(15)6-18-7-10(13,14)9(11)12/h8-9,15H,2-7H2,1H3.
What are the key properties of 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol?
5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol has a molecular weight of 310.31 g/mol, XLogP of 1.48, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-ol is sourced from PubChem (CID 103474163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).