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

C10H16F4O4S — CID 103473833

IUPAC5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one
SMILESCCS(=O)(=O)CCCC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H16F4O4S/c1-2-19(16,17)5-3-4-8(15)6-18-7-10(13,14)9(11)12/h9H,2-7H2,1H3
InChIKeyHWSYBPCZTQJXSQ-UHFFFAOYSA-N
MW308.29 g/mol
LogP1.69
Rot. Bonds10

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

5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one (PubChem CID 103473833) has the molecular formula C10H16F4O4S and a molecular weight of 308.29 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one.

Molecular Properties

Compound Name5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one
PubChem CID103473833
Molecular FormulaC10H16F4O4S
Molecular Weight308.29 g/mol
Exact Mass308.07
IUPAC Name5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one
SMILESCCS(=O)(=O)CCCC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H16F4O4S/c1-2-19(16,17)5-3-4-8(15)6-18-7-10(13,14)9(11)12/h9H,2-7H2,1H3
InChIKeyHWSYBPCZTQJXSQ-UHFFFAOYSA-N
XLogP1.69
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonate;1-(1,4-oxathian-4-ium-4-yl)pentan-2-one
CID 18547946
[4-(2-Oxopentyl)-1,4-oxathian-4-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139912267
1-(2,2-Difluoroethoxy)-6-ethylsulfonylhexan-3-one
CID 103147285
5-Methylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-one
CID 103213958
5-Ethylsulfonyl-1-(2,2,2-trifluoroethoxy)pentan-2-one
CID 103214136
5-Methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one
CID 103473673
6-Ethylsulfonyl-1-(2,2,2-trifluoroethoxy)hexan-3-one
CID 113780714
5-Ethylsulfonyl-1-methoxypentan-2-one
CID 62319823
5-Methylsulfonyl-1-propoxypentan-2-one
CID 63192566
2-Ethoxy-6-ethylsulfonylhexan-3-one
CID 65097704
5-Ethylsulfonyl-1-propoxypentan-2-one
CID 65097748
1-Ethoxy-5-methylsulfonylpentan-2-one
CID 65668237

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one?
The IUPAC name of 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one (CID 103473833) is 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one.
What is the SMILES notation for 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one?
The canonical SMILES for 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one 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-one?
The InChIKey is HWSYBPCZTQJXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4O4S/c1-2-19(16,17)5-3-4-8(15)6-18-7-10(13,14)9(11)12/h9H,2-7H2,1H3.
What are the key properties of 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one?
5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-one has a molecular weight of 308.29 g/mol, XLogP of 1.69, 10 rotatable bonds, 0 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-one is sourced from PubChem (CID 103473833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).