1-(3-fluorophenyl)sulfanyl-5-methylsulfonylpentan-2-ol

C12H17FO3S2 — CID 66073097

IUPAC1-(3-fluorophenyl)sulfanyl-5-methylsulfonylpentan-2-ol
SMILESCS(=O)(=O)CCCC(O)CSc1cccc(F)c1
InChIInChI=1S/C12H17FO3S2/c1-18(15,16)7-3-5-11(14)9-17-12-6-2-4-10(13)8-12/h2,4,6,8,11,14H,3,5,7,9H2,1H3
InChIKeyQUWBFZBATAGFGF-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.10
Rot. Bonds7

About 1-(3-fluorophenyl)sulfanyl-5-methylsulfonylpentan-2-ol

1-(3-fluorophenyl)sulfanyl-5-methylsulfonylpentan-2-ol (PubChem CID 66073097) has the molecular formula C12H17FO3S2 and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfanyl-5-methylsulfonylpentan-2-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfanyl-5-methylsulfonylpentan-2-ol
PubChem CID66073097
Molecular FormulaC12H17FO3S2
Molecular Weight292.40 g/mol
Exact Mass292.06
IUPAC Name1-(3-fluorophenyl)sulfanyl-5-methylsulfonylpentan-2-ol
SMILESCS(=O)(=O)CCCC(O)CSc1cccc(F)c1
InChIInChI=1S/C12H17FO3S2/c1-18(15,16)7-3-5-11(14)9-17-12-6-2-4-10(13)8-12/h2,4,6,8,11,14H,3,5,7,9H2,1H3
InChIKeyQUWBFZBATAGFGF-UHFFFAOYSA-N
XLogP2.10
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)sulfanylhept-5-yn-2-ol
CID 104803944
1-(2-methylphenyl)sulfanyl-5-methylsulfonylpentan-2-ol
CID 66097557
1-(3-fluorophenyl)sulfanyl-3-propan-2-yloxypropan-2-ol
CID 79566382
1-(4-bromophenyl)sulfanyl-4-methylsulfonylbutan-2-ol
CID 66057266
5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol
CID 65095282
1-(3-chlorophenyl)sulfanyl-5-methylsulfonylpentan-2-amine
CID 66146207
1-(2,4-difluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66071849
1-(4-chlorophenyl)sulfanyl-4-methylsulfonylbutan-2-ol
CID 66144348
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine
CID 79440058
N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine
CID 63192315
1-(3-bromothiophen-2-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66070207

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfanyl-5-methylsulfonylpentan-2-ol?
The IUPAC name of 1-(3-fluorophenyl)sulfanyl-5-methylsulfonylpentan-2-ol (CID 66073097) is 1-(3-fluorophenyl)sulfanyl-5-methylsulfonylpentan-2-ol.
What is the SMILES notation for 1-(3-fluorophenyl)sulfanyl-5-methylsulfonylpentan-2-ol?
The canonical SMILES for 1-(3-fluorophenyl)sulfanyl-5-methylsulfonylpentan-2-ol is CS(=O)(=O)CCCC(O)CSc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)sulfanyl-5-methylsulfonylpentan-2-ol?
The InChIKey is QUWBFZBATAGFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO3S2/c1-18(15,16)7-3-5-11(14)9-17-12-6-2-4-10(13)8-12/h2,4,6,8,11,14H,3,5,7,9H2,1H3.
What are the key properties of 1-(3-fluorophenyl)sulfanyl-5-methylsulfonylpentan-2-ol?
1-(3-fluorophenyl)sulfanyl-5-methylsulfonylpentan-2-ol has a molecular weight of 292.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfanyl-5-methylsulfonylpentan-2-ol is sourced from PubChem (CID 66073097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).