1-(4,4,5,5,5-pentafluoropentan-2-ylsulfonyl)pentan-2-ol

C10H17F5O3S — CID 87892032

IUPAC1-(4,4,5,5,5-pentafluoropentan-2-ylsulfonyl)pentan-2-ol
SMILESCCCC(O)CS(=O)(=O)C(C)CC(F)(F)C(F)(F)F
InChIInChI=1S/C10H17F5O3S/c1-3-4-8(16)6-19(17,18)7(2)5-9(11,12)10(13,14)15/h7-8,16H,3-6H2,1-2H3
InChIKeyBOHHPDACUFJFTO-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.54
Rot. Bonds7

About 1-(4,4,5,5,5-pentafluoropentan-2-ylsulfonyl)pentan-2-ol

1-(4,4,5,5,5-pentafluoropentan-2-ylsulfonyl)pentan-2-ol (PubChem CID 87892032) has the molecular formula C10H17F5O3S and a molecular weight of 312.30 g/mol. Its IUPAC name is 1-(4,4,5,5,5-pentafluoropentan-2-ylsulfonyl)pentan-2-ol.

Molecular Properties

Compound Name1-(4,4,5,5,5-pentafluoropentan-2-ylsulfonyl)pentan-2-ol
PubChem CID87892032
Molecular FormulaC10H17F5O3S
Molecular Weight312.30 g/mol
Exact Mass312.08
IUPAC Name1-(4,4,5,5,5-pentafluoropentan-2-ylsulfonyl)pentan-2-ol
SMILESCCCC(O)CS(=O)(=O)C(C)CC(F)(F)C(F)(F)F
InChIInChI=1S/C10H17F5O3S/c1-3-4-8(16)6-19(17,18)7(2)5-9(11,12)10(13,14)15/h7-8,16H,3-6H2,1-2H3
InChIKeyBOHHPDACUFJFTO-UHFFFAOYSA-N
XLogP2.54
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.54
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 1-(4,4,5,5,5-pentafluoropentan-2-ylsulfonyl)pentan-2-ol?
The IUPAC name of 1-(4,4,5,5,5-pentafluoropentan-2-ylsulfonyl)pentan-2-ol (CID 87892032) is 1-(4,4,5,5,5-pentafluoropentan-2-ylsulfonyl)pentan-2-ol.
What is the SMILES notation for 1-(4,4,5,5,5-pentafluoropentan-2-ylsulfonyl)pentan-2-ol?
The canonical SMILES for 1-(4,4,5,5,5-pentafluoropentan-2-ylsulfonyl)pentan-2-ol is CCCC(O)CS(=O)(=O)C(C)CC(F)(F)C(F)(F)F.
What is the InChIKey of 1-(4,4,5,5,5-pentafluoropentan-2-ylsulfonyl)pentan-2-ol?
The InChIKey is BOHHPDACUFJFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F5O3S/c1-3-4-8(16)6-19(17,18)7(2)5-9(11,12)10(13,14)15/h7-8,16H,3-6H2,1-2H3.
What are the key properties of 1-(4,4,5,5,5-pentafluoropentan-2-ylsulfonyl)pentan-2-ol?
1-(4,4,5,5,5-pentafluoropentan-2-ylsulfonyl)pentan-2-ol has a molecular weight of 312.30 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,5,5,5-pentafluoropentan-2-ylsulfonyl)pentan-2-ol is sourced from PubChem (CID 87892032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).