1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol

C11H15FOS — CID 65130556

IUPAC1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol
SMILESCCSCC(O)Cc1ccccc1F
InChIInChI=1S/C11H15FOS/c1-2-14-8-10(13)7-9-5-3-4-6-11(9)12/h3-6,10,13H,2,7-8H2,1H3
InChIKeyZYXCWOSPFJPTSO-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.48
Rot. Bonds5

About 1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol

1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol (PubChem CID 65130556) has the molecular formula C11H15FOS and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol
PubChem CID65130556
Molecular FormulaC11H15FOS
Molecular Weight214.30 g/mol
Exact Mass214.08
IUPAC Name1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol
SMILESCCSCC(O)Cc1ccccc1F
InChIInChI=1S/C11H15FOS/c1-2-14-8-10(13)7-9-5-3-4-6-11(9)12/h3-6,10,13H,2,7-8H2,1H3
InChIKeyZYXCWOSPFJPTSO-UHFFFAOYSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(2-fluorophenyl)propan-2-ol
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1-(2-fluorophenyl)octan-2-ol
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1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
4-ethoxy-1-(2-fluorophenyl)butan-2-ol
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1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol
CID 70305624
1-ethylsulfanyl-N-[(2-fluorophenyl)methyl]propan-2-amine
CID 115660784
1-(2-chlorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 54978146
1-(2-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 63834393
1-(2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61263658
1-(5-chloro-2-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-ol
CID 103048235

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol?
The IUPAC name of 1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol (CID 65130556) is 1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol is CCSCC(O)Cc1ccccc1F.
What is the InChIKey of 1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol?
The InChIKey is ZYXCWOSPFJPTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FOS/c1-2-14-8-10(13)7-9-5-3-4-6-11(9)12/h3-6,10,13H,2,7-8H2,1H3.
What are the key properties of 1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol?
1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol has a molecular weight of 214.30 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-(2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 65130556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).