1-(trifluoromethylsulfonyl)propan-2-ol

C4H7F3O3S — CID 13107099

IUPAC1-(trifluoromethylsulfonyl)propan-2-ol
SMILESCC(O)CS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H7F3O3S/c1-3(8)2-11(9,10)4(5,6)7/h3,8H,2H2,1H3
InChIKeyLWFQTQZQNHXHGP-UHFFFAOYSA-N
MW192.16 g/mol
LogP0.30
Rot. Bonds2

About 1-(trifluoromethylsulfonyl)propan-2-ol

1-(trifluoromethylsulfonyl)propan-2-ol (PubChem CID 13107099) has the molecular formula C4H7F3O3S and a molecular weight of 192.16 g/mol. Its IUPAC name is 1-(trifluoromethylsulfonyl)propan-2-ol.

Molecular Properties

Compound Name1-(trifluoromethylsulfonyl)propan-2-ol
PubChem CID13107099
Molecular FormulaC4H7F3O3S
Molecular Weight192.16 g/mol
Exact Mass192.01
IUPAC Name1-(trifluoromethylsulfonyl)propan-2-ol
SMILESCC(O)CS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H7F3O3S/c1-3(8)2-11(9,10)4(5,6)7/h3,8H,2H2,1H3
InChIKeyLWFQTQZQNHXHGP-UHFFFAOYSA-N
XLogP0.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethylsulfonyl)propan-2-ol?
The IUPAC name of 1-(trifluoromethylsulfonyl)propan-2-ol (CID 13107099) is 1-(trifluoromethylsulfonyl)propan-2-ol.
What is the SMILES notation for 1-(trifluoromethylsulfonyl)propan-2-ol?
The canonical SMILES for 1-(trifluoromethylsulfonyl)propan-2-ol is CC(O)CS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-(trifluoromethylsulfonyl)propan-2-ol?
The InChIKey is LWFQTQZQNHXHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O3S/c1-3(8)2-11(9,10)4(5,6)7/h3,8H,2H2,1H3.
What are the key properties of 1-(trifluoromethylsulfonyl)propan-2-ol?
1-(trifluoromethylsulfonyl)propan-2-ol has a molecular weight of 192.16 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethylsulfonyl)propan-2-ol is sourced from PubChem (CID 13107099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).