1-(pentafluoro-λ6-sulfanyl)-2-phenylhexan-2-ol

C12H17F5OS — CID 155206594

IUPAC1-(pentafluoro-λ6-sulfanyl)-2-phenylhexan-2-ol
SMILESCCCCC(O)(CS(F)(F)(F)(F)F)c1ccccc1
InChIInChI=1S/C12H17F5OS/c1-2-3-9-12(18,10-19(13,14,15,16)17)11-7-5-4-6-8-11/h4-8,18H,2-3,9-10H2,1H3
InChIKeyAQZOFNUGMJHLRO-UHFFFAOYSA-N
MW304.32 g/mol
LogP5.36
Rot. Bonds6

About 1-(pentafluoro-λ6-sulfanyl)-2-phenylhexan-2-ol

1-(pentafluoro-λ6-sulfanyl)-2-phenylhexan-2-ol (PubChem CID 155206594) has the molecular formula C12H17F5OS and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-(pentafluoro-λ6-sulfanyl)-2-phenylhexan-2-ol.

Molecular Properties

Compound Name1-(pentafluoro-λ6-sulfanyl)-2-phenylhexan-2-ol
PubChem CID155206594
Molecular FormulaC12H17F5OS
Molecular Weight304.32 g/mol
Exact Mass304.09
IUPAC Name1-(pentafluoro-λ6-sulfanyl)-2-phenylhexan-2-ol
SMILESCCCCC(O)(CS(F)(F)(F)(F)F)c1ccccc1
InChIInChI=1S/C12H17F5OS/c1-2-3-9-12(18,10-19(13,14,15,16)17)11-7-5-4-6-8-11/h4-8,18H,2-3,9-10H2,1H3
InChIKeyAQZOFNUGMJHLRO-UHFFFAOYSA-N
XLogP5.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.32
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1,2-diphenylheptan-2-ol
CID 139785734
10-phenylnonadecane-1,10-diol
CID 159665017
1-methoxy-2-phenylheptan-2-ol
CID 103465294
7,7,7-trifluoro-3-phenylheptan-3-ol
CID 113326695
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CID 13236903
1,1-diphenylpentan-1-amine
CID 10263654
2-butyl-2-phenylpropane-1,3-diol
CID 79449681
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CID 10545838
3-butyl-3-phenylheptan-2-one
CID 11776692

Frequently Asked Questions

What is the IUPAC name of 1-(pentafluoro-λ6-sulfanyl)-2-phenylhexan-2-ol?
The IUPAC name of 1-(pentafluoro-λ6-sulfanyl)-2-phenylhexan-2-ol (CID 155206594) is 1-(pentafluoro-λ6-sulfanyl)-2-phenylhexan-2-ol.
What is the SMILES notation for 1-(pentafluoro-λ6-sulfanyl)-2-phenylhexan-2-ol?
The canonical SMILES for 1-(pentafluoro-λ6-sulfanyl)-2-phenylhexan-2-ol is CCCCC(O)(CS(F)(F)(F)(F)F)c1ccccc1.
What is the InChIKey of 1-(pentafluoro-λ6-sulfanyl)-2-phenylhexan-2-ol?
The InChIKey is AQZOFNUGMJHLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F5OS/c1-2-3-9-12(18,10-19(13,14,15,16)17)11-7-5-4-6-8-11/h4-8,18H,2-3,9-10H2,1H3.
What are the key properties of 1-(pentafluoro-λ6-sulfanyl)-2-phenylhexan-2-ol?
1-(pentafluoro-λ6-sulfanyl)-2-phenylhexan-2-ol has a molecular weight of 304.32 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentafluoro-λ6-sulfanyl)-2-phenylhexan-2-ol is sourced from PubChem (CID 155206594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).