5,5-bis(trifluoromethylsulfonyl)pentan-1-ol

C7H10F6O5S2 — CID 58195699

IUPAC5,5-bis(trifluoromethylsulfonyl)pentan-1-ol
SMILESO=S(=O)(C(CCCCO)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O5S2/c8-6(9,10)19(15,16)5(3-1-2-4-14)20(17,18)7(11,12)13/h5,14H,1-4H2
InChIKeyASWDPPWLWULXRJ-UHFFFAOYSA-N
MW352.27 g/mol
LogP1.34
Rot. Bonds6

About 5,5-bis(trifluoromethylsulfonyl)pentan-1-ol

5,5-bis(trifluoromethylsulfonyl)pentan-1-ol (PubChem CID 58195699) has the molecular formula C7H10F6O5S2 and a molecular weight of 352.27 g/mol. Its IUPAC name is 5,5-bis(trifluoromethylsulfonyl)pentan-1-ol.

Molecular Properties

Compound Name5,5-bis(trifluoromethylsulfonyl)pentan-1-ol
PubChem CID58195699
Molecular FormulaC7H10F6O5S2
Molecular Weight352.27 g/mol
Exact Mass351.99
IUPAC Name5,5-bis(trifluoromethylsulfonyl)pentan-1-ol
SMILESO=S(=O)(C(CCCCO)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O5S2/c8-6(9,10)19(15,16)5(3-1-2-4-14)20(17,18)7(11,12)13/h5,14H,1-4H2
InChIKeyASWDPPWLWULXRJ-UHFFFAOYSA-N
XLogP1.34
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(trifluoromethylsulfonyl)pentan-1-ol?
The IUPAC name of 5,5-bis(trifluoromethylsulfonyl)pentan-1-ol (CID 58195699) is 5,5-bis(trifluoromethylsulfonyl)pentan-1-ol.
What is the SMILES notation for 5,5-bis(trifluoromethylsulfonyl)pentan-1-ol?
The canonical SMILES for 5,5-bis(trifluoromethylsulfonyl)pentan-1-ol is O=S(=O)(C(CCCCO)S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,5-bis(trifluoromethylsulfonyl)pentan-1-ol?
The InChIKey is ASWDPPWLWULXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O5S2/c8-6(9,10)19(15,16)5(3-1-2-4-14)20(17,18)7(11,12)13/h5,14H,1-4H2.
What are the key properties of 5,5-bis(trifluoromethylsulfonyl)pentan-1-ol?
5,5-bis(trifluoromethylsulfonyl)pentan-1-ol has a molecular weight of 352.27 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(trifluoromethylsulfonyl)pentan-1-ol is sourced from PubChem (CID 58195699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).