3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol

C10H11F3O4S — CID 71977096

IUPAC3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol
SMILESO=S(=O)(CC(O)CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3O4S/c11-10(12,13)7-2-1-3-9(4-7)18(16,17)6-8(15)5-14/h1-4,8,14-15H,5-6H2
InChIKeyDMSVEYNWKLRINC-UHFFFAOYSA-N
MW284.25 g/mol
LogP0.83
Rot. Bonds4

About 3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol

3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol (PubChem CID 71977096) has the molecular formula C10H11F3O4S and a molecular weight of 284.25 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol
PubChem CID71977096
Molecular FormulaC10H11F3O4S
Molecular Weight284.25 g/mol
Exact Mass284.03
IUPAC Name3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol
SMILESO=S(=O)(CC(O)CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3O4S/c11-10(12,13)7-2-1-3-9(4-7)18(16,17)6-8(15)5-14/h1-4,8,14-15H,5-6H2
InChIKeyDMSVEYNWKLRINC-UHFFFAOYSA-N
XLogP0.83
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 107508914
3-(3-fluorophenyl)sulfonylpropane-1,2-diol
CID 111969337
1-[(2R)-2-hydroxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropyl]pyrrolidin-2-one
CID 1478659
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylbutan-2-amine
CID 64646267
2-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane
CID 115474691
3-[1-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]azetidine
CID 68523927
1-cyclopropyl-N-ethyl-2-[3-(trifluoromethyl)phenyl]sulfonylethanamine
CID 64646667
N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 103833984
2,2-difluoro-2-[3-(trifluoromethyl)phenyl]sulfonylacetic acid
CID 81218082
1-[3-(trifluoromethyl)phenyl]sulfonylpentan-2-one
CID 64643363
1-[(4-methylphenyl)methylsulfonyl]-3-(trifluoromethyl)benzene
CID 177392501
potassium [3-(trifluoromethyl)phenyl]sulfonylazanide
CID 131721326

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol (CID 71977096) is 3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol is O=S(=O)(CC(O)CO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol?
The InChIKey is DMSVEYNWKLRINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O4S/c11-10(12,13)7-2-1-3-9(4-7)18(16,17)6-8(15)5-14/h1-4,8,14-15H,5-6H2.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol?
3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol has a molecular weight of 284.25 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol is sourced from PubChem (CID 71977096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).