6-(2-fluorobutan-2-ylsulfanyl)hexan-1-ol

C10H21FOS — CID 164788976

IUPAC6-(2-fluorobutan-2-ylsulfanyl)hexan-1-ol
SMILESCCC(C)(F)SCCCCCCO
InChIInChI=1S/C10H21FOS/c1-3-10(2,11)13-9-7-5-4-6-8-12/h12H,3-9H2,1-2H3
InChIKeyHGTGNABMNAGUSY-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.37
Rot. Bonds8

About 6-(2-fluorobutan-2-ylsulfanyl)hexan-1-ol

6-(2-fluorobutan-2-ylsulfanyl)hexan-1-ol (PubChem CID 164788976) has the molecular formula C10H21FOS and a molecular weight of 208.34 g/mol. Its IUPAC name is 6-(2-fluorobutan-2-ylsulfanyl)hexan-1-ol.

Molecular Properties

Compound Name6-(2-fluorobutan-2-ylsulfanyl)hexan-1-ol
PubChem CID164788976
Molecular FormulaC10H21FOS
Molecular Weight208.34 g/mol
Exact Mass208.13
IUPAC Name6-(2-fluorobutan-2-ylsulfanyl)hexan-1-ol
SMILESCCC(C)(F)SCCCCCCO
InChIInChI=1S/C10H21FOS/c1-3-10(2,11)13-9-7-5-4-6-8-12/h12H,3-9H2,1-2H3
InChIKeyHGTGNABMNAGUSY-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-(6-hydroxyhexylsulfanyl)-3-methylbutanoic acid
CID 106443145
5-(tert-butyldisulfanyl)pentan-1-ol
CID 14965510
6-(tetradecyldisulfanyl)hexan-1-ol
CID 172554723
11-(decyldisulfanyl)undecan-1-ol
CID 102160714
8-pentylsulfanyloctan-1-ol
CID 86658436
decan-1-ol;hydrofluoride
CID 158778674
9-(9-hydroxynonylsulfanyl)nonan-1-ol
CID 155127930
6-(2-amino-2-methylpropyl)sulfanylhexan-1-ol
CID 23615100
10-(pentylsulfanylmethylsulfanyl)decan-1-ol
CID 170383574
hexane-1,6-diol;octane-1,8-diol
CID 21202869
tricosane-1,23-diol
CID 25144332
trioctacontane-1,83-diol
CID 87526146

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorobutan-2-ylsulfanyl)hexan-1-ol?
The IUPAC name of 6-(2-fluorobutan-2-ylsulfanyl)hexan-1-ol (CID 164788976) is 6-(2-fluorobutan-2-ylsulfanyl)hexan-1-ol.
What is the SMILES notation for 6-(2-fluorobutan-2-ylsulfanyl)hexan-1-ol?
The canonical SMILES for 6-(2-fluorobutan-2-ylsulfanyl)hexan-1-ol is CCC(C)(F)SCCCCCCO.
What is the InChIKey of 6-(2-fluorobutan-2-ylsulfanyl)hexan-1-ol?
The InChIKey is HGTGNABMNAGUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FOS/c1-3-10(2,11)13-9-7-5-4-6-8-12/h12H,3-9H2,1-2H3.
What are the key properties of 6-(2-fluorobutan-2-ylsulfanyl)hexan-1-ol?
6-(2-fluorobutan-2-ylsulfanyl)hexan-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorobutan-2-ylsulfanyl)hexan-1-ol is sourced from PubChem (CID 164788976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).