(E)-3-[4-(trifluoromethylsulfonyl)phenyl]prop-2-en-1-ol

C10H9F3O3S — CID 10706849

IUPAC(E)-3-[4-(trifluoromethylsulfonyl)phenyl]prop-2-en-1-ol
SMILESO=S(=O)(c1ccc(/C=C/CO)cc1)C(F)(F)F
InChIInChI=1S/C10H9F3O3S/c11-10(12,13)17(15,16)9-5-3-8(4-6-9)2-1-7-14/h1-6,14H,7H2/b2-1+
InChIKeyUUFJTJHUXUAIJN-OWOJBTEDSA-N
MW266.24 g/mol
LogP1.99
Rot. Bonds3

About (E)-3-[4-(trifluoromethylsulfonyl)phenyl]prop-2-en-1-ol

(E)-3-[4-(trifluoromethylsulfonyl)phenyl]prop-2-en-1-ol (PubChem CID 10706849) has the molecular formula C10H9F3O3S and a molecular weight of 266.24 g/mol. Its IUPAC name is (E)-3-[4-(trifluoromethylsulfonyl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[4-(trifluoromethylsulfonyl)phenyl]prop-2-en-1-ol
PubChem CID10706849
Molecular FormulaC10H9F3O3S
Molecular Weight266.24 g/mol
Exact Mass266.02
IUPAC Name(E)-3-[4-(trifluoromethylsulfonyl)phenyl]prop-2-en-1-ol
SMILESO=S(=O)(c1ccc(/C=C/CO)cc1)C(F)(F)F
InChIInChI=1S/C10H9F3O3S/c11-10(12,13)17(15,16)9-5-3-8(4-6-9)2-1-7-14/h1-6,14H,7H2/b2-1+
InChIKeyUUFJTJHUXUAIJN-OWOJBTEDSA-N
XLogP1.99
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(trifluoromethylsulfonyl)phenyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[4-(trifluoromethylsulfonyl)phenyl]prop-2-en-1-ol (CID 10706849) is (E)-3-[4-(trifluoromethylsulfonyl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[4-(trifluoromethylsulfonyl)phenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[4-(trifluoromethylsulfonyl)phenyl]prop-2-en-1-ol is O=S(=O)(c1ccc(/C=C/CO)cc1)C(F)(F)F.
What is the InChIKey of (E)-3-[4-(trifluoromethylsulfonyl)phenyl]prop-2-en-1-ol?
The InChIKey is UUFJTJHUXUAIJN-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H9F3O3S/c11-10(12,13)17(15,16)9-5-3-8(4-6-9)2-1-7-14/h1-6,14H,7H2/b2-1+.
What are the key properties of (E)-3-[4-(trifluoromethylsulfonyl)phenyl]prop-2-en-1-ol?
(E)-3-[4-(trifluoromethylsulfonyl)phenyl]prop-2-en-1-ol has a molecular weight of 266.24 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(trifluoromethylsulfonyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 10706849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).