1,1-bis(trifluoromethylsulfonyl)pentan-3-ol

C7H10F6O5S2 — CID 58195625

IUPAC1,1-bis(trifluoromethylsulfonyl)pentan-3-ol
SMILESCCC(O)CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F6O5S2/c1-2-4(14)3-5(19(15,16)6(8,9)10)20(17,18)7(11,12)13/h4-5,14H,2-3H2,1H3
InChIKeyACFMNLILCIAVPZ-UHFFFAOYSA-N
MW352.27 g/mol
LogP1.34
Rot. Bonds5

About 1,1-bis(trifluoromethylsulfonyl)pentan-3-ol

1,1-bis(trifluoromethylsulfonyl)pentan-3-ol (PubChem CID 58195625) has the molecular formula C7H10F6O5S2 and a molecular weight of 352.27 g/mol. Its IUPAC name is 1,1-bis(trifluoromethylsulfonyl)pentan-3-ol.

Molecular Properties

Compound Name1,1-bis(trifluoromethylsulfonyl)pentan-3-ol
PubChem CID58195625
Molecular FormulaC7H10F6O5S2
Molecular Weight352.27 g/mol
Exact Mass351.99
IUPAC Name1,1-bis(trifluoromethylsulfonyl)pentan-3-ol
SMILESCCC(O)CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F6O5S2/c1-2-4(14)3-5(19(15,16)6(8,9)10)20(17,18)7(11,12)13/h4-5,14H,2-3H2,1H3
InChIKeyACFMNLILCIAVPZ-UHFFFAOYSA-N
XLogP1.34
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(trifluoromethylsulfonyl)pentan-3-ol?
The IUPAC name of 1,1-bis(trifluoromethylsulfonyl)pentan-3-ol (CID 58195625) is 1,1-bis(trifluoromethylsulfonyl)pentan-3-ol.
What is the SMILES notation for 1,1-bis(trifluoromethylsulfonyl)pentan-3-ol?
The canonical SMILES for 1,1-bis(trifluoromethylsulfonyl)pentan-3-ol is CCC(O)CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1-bis(trifluoromethylsulfonyl)pentan-3-ol?
The InChIKey is ACFMNLILCIAVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O5S2/c1-2-4(14)3-5(19(15,16)6(8,9)10)20(17,18)7(11,12)13/h4-5,14H,2-3H2,1H3.
What are the key properties of 1,1-bis(trifluoromethylsulfonyl)pentan-3-ol?
1,1-bis(trifluoromethylsulfonyl)pentan-3-ol has a molecular weight of 352.27 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(trifluoromethylsulfonyl)pentan-3-ol is sourced from PubChem (CID 58195625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).