1,1,1-trifluoro-3-(2-fluorophenyl)sulfinylpropan-2-ol

C9H8F4O2S — CID 64717098

IUPAC1,1,1-trifluoro-3-(2-fluorophenyl)sulfinylpropan-2-ol
SMILESO=S(CC(O)C(F)(F)F)c1ccccc1F
InChIInChI=1S/C9H8F4O2S/c10-6-3-1-2-4-7(6)16(15)5-8(14)9(11,12)13/h1-4,8,14H,5H2
InChIKeyDGOWKECSIFGJJC-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.86
Rot. Bonds3

About 1,1,1-trifluoro-3-(2-fluorophenyl)sulfinylpropan-2-ol

1,1,1-trifluoro-3-(2-fluorophenyl)sulfinylpropan-2-ol (PubChem CID 64717098) has the molecular formula C9H8F4O2S and a molecular weight of 256.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2-fluorophenyl)sulfinylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2-fluorophenyl)sulfinylpropan-2-ol
PubChem CID64717098
Molecular FormulaC9H8F4O2S
Molecular Weight256.22 g/mol
Exact Mass256.02
IUPAC Name1,1,1-trifluoro-3-(2-fluorophenyl)sulfinylpropan-2-ol
SMILESO=S(CC(O)C(F)(F)F)c1ccccc1F
InChIInChI=1S/C9H8F4O2S/c10-6-3-1-2-4-7(6)16(15)5-8(14)9(11,12)13/h1-4,8,14H,5H2
InChIKeyDGOWKECSIFGJJC-UHFFFAOYSA-N
XLogP1.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2-fluorophenyl)sulfinylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(2-fluorophenyl)sulfinylpropan-2-ol (CID 64717098) is 1,1,1-trifluoro-3-(2-fluorophenyl)sulfinylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(2-fluorophenyl)sulfinylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(2-fluorophenyl)sulfinylpropan-2-ol is O=S(CC(O)C(F)(F)F)c1ccccc1F.
What is the InChIKey of 1,1,1-trifluoro-3-(2-fluorophenyl)sulfinylpropan-2-ol?
The InChIKey is DGOWKECSIFGJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O2S/c10-6-3-1-2-4-7(6)16(15)5-8(14)9(11,12)13/h1-4,8,14H,5H2.
What are the key properties of 1,1,1-trifluoro-3-(2-fluorophenyl)sulfinylpropan-2-ol?
1,1,1-trifluoro-3-(2-fluorophenyl)sulfinylpropan-2-ol has a molecular weight of 256.22 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2-fluorophenyl)sulfinylpropan-2-ol is sourced from PubChem (CID 64717098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).