(2R)-2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol

C17H17F3O3S — CID 11617401

IUPAC(2R)-2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCCc1ccccc1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1
InChIInChI=1S/C17H17F3O3S/c1-3-12-6-4-5-7-15(12)24(22,23)14-10-8-13(9-11-14)16(2,21)17(18,19)20/h4-11,21H,3H2,1-2H3/t16-/m1/s1
InChIKeyBKJONPBKARADED-MRXNPFEDSA-N
MW358.38 g/mol
LogP3.85
Rot. Bonds4

About (2R)-2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol

(2R)-2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 11617401) has the molecular formula C17H17F3O3S and a molecular weight of 358.38 g/mol. Its IUPAC name is (2R)-2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID11617401
Molecular FormulaC17H17F3O3S
Molecular Weight358.38 g/mol
Exact Mass358.09
IUPAC Name(2R)-2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCCc1ccccc1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1
InChIInChI=1S/C17H17F3O3S/c1-3-12-6-4-5-7-15(12)24(22,23)14-10-8-13(9-11-14)16(2,21)17(18,19)20/h4-11,21H,3H2,1-2H3/t16-/m1/s1
InChIKeyBKJONPBKARADED-MRXNPFEDSA-N
XLogP3.85
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol (CID 11617401) is (2R)-2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol is CCc1ccccc1S(=O)(=O)c1ccc([C@@](C)(O)C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is BKJONPBKARADED-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17F3O3S/c1-3-12-6-4-5-7-15(12)24(22,23)14-10-8-13(9-11-14)16(2,21)17(18,19)20/h4-11,21H,3H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol?
(2R)-2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 358.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-ethylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 11617401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).