1,1,1,3,3,3-hexafluoro-2-(2-methylsulfanylphenyl)propan-2-ol

C10H8F6OS — CID 71761886

IUPAC1,1,1,3,3,3-hexafluoro-2-(2-methylsulfanylphenyl)propan-2-ol
SMILESCSc1ccccc1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F6OS/c1-18-7-5-3-2-4-6(7)8(17,9(11,12)13)10(14,15)16/h2-5,17H,1H3
InChIKeyXNGBZRVVQMROEE-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.72
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-(2-methylsulfanylphenyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(2-methylsulfanylphenyl)propan-2-ol (PubChem CID 71761886) has the molecular formula C10H8F6OS and a molecular weight of 290.23 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2-methylsulfanylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(2-methylsulfanylphenyl)propan-2-ol
PubChem CID71761886
Molecular FormulaC10H8F6OS
Molecular Weight290.23 g/mol
Exact Mass290.02
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2-methylsulfanylphenyl)propan-2-ol
SMILESCSc1ccccc1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F6OS/c1-18-7-5-3-2-4-6(7)8(17,9(11,12)13)10(14,15)16/h2-5,17H,1H3
InChIKeyXNGBZRVVQMROEE-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1,3,3,3-hexafluoro-2-[2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol
CID 134882623
1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 18352095
methyl 2-fluoro-2-(2-methylsulfanylphenyl)propanoate
CID 105485565
(2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol
CID 55276084
1,1,1,3,3,3-hexafluoro-2-(2-fluoro-3-pyridinyl)propan-2-ol
CID 133060408
(2-methylsulfanylphenyl)oxidanium
CID 143399169
2-methylsulfanyl-N-(trifluoromethyl)aniline
CID 71648542
ethane;1-fluoro-2-methylsulfanylbenzene
CID 143031250
bis(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol);1,1,1,3,3,3-hexafluoropropan-2-ol
CID 161340983
methyl 2-methylsulfanyl-6-(trifluoromethyl)benzoate
CID 91880964
2-methylsulfanyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43683371
1-(2-fluorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62802798

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2-methylsulfanylphenyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2-methylsulfanylphenyl)propan-2-ol (CID 71761886) is 1,1,1,3,3,3-hexafluoro-2-(2-methylsulfanylphenyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2-methylsulfanylphenyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2-methylsulfanylphenyl)propan-2-ol is CSc1ccccc1C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2-methylsulfanylphenyl)propan-2-ol?
The InChIKey is XNGBZRVVQMROEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6OS/c1-18-7-5-3-2-4-6(7)8(17,9(11,12)13)10(14,15)16/h2-5,17H,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2-methylsulfanylphenyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(2-methylsulfanylphenyl)propan-2-ol has a molecular weight of 290.23 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(2-methylsulfanylphenyl)propan-2-ol is sourced from PubChem (CID 71761886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).