1-(2,6-difluorophenyl)-4-methylsulfanylbutan-1-ol

C11H14F2OS — CID 103089788

IUPAC1-(2,6-difluorophenyl)-4-methylsulfanylbutan-1-ol
SMILESCSCCCC(O)c1c(F)cccc1F
InChIInChI=1S/C11H14F2OS/c1-15-7-3-6-10(14)11-8(12)4-2-5-9(11)13/h2,4-5,10,14H,3,6-7H2,1H3
InChIKeyNYVRKJBLCFLUMU-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.14
Rot. Bonds5

About 1-(2,6-difluorophenyl)-4-methylsulfanylbutan-1-ol

1-(2,6-difluorophenyl)-4-methylsulfanylbutan-1-ol (PubChem CID 103089788) has the molecular formula C11H14F2OS and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-4-methylsulfanylbutan-1-ol
PubChem CID103089788
Molecular FormulaC11H14F2OS
Molecular Weight232.29 g/mol
Exact Mass232.07
IUPAC Name1-(2,6-difluorophenyl)-4-methylsulfanylbutan-1-ol
SMILESCSCCCC(O)c1c(F)cccc1F
InChIInChI=1S/C11H14F2OS/c1-15-7-3-6-10(14)11-8(12)4-2-5-9(11)13/h2,4-5,10,14H,3,6-7H2,1H3
InChIKeyNYVRKJBLCFLUMU-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.14
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

1-(2-fluorophenyl)-5-methylsulfanylpentan-2-ol
CID 70305624
1-(2,6-difluorophenyl)-4,4-dimethylpentan-1-ol
CID 65148322
3-cyclopropyl-1-(2,6-difluorophenyl)propan-1-ol
CID 79522397
1-(2-chlorophenyl)-4-methylsulfanylbutan-1-ol
CID 103090055
5-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131236
1-(2,6-difluorophenyl)ethanol
CID 5012075
1-(3-bromophenyl)-5-methylsulfanylpentan-2-ol
CID 103089773
1-(2,6-dichlorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089720
1-[(2S)-2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea
CID 95775482
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 112653011
1-(2,6-difluorophenyl)-3-methylidenepentan-1-ol
CID 79522636
3-(2,6-difluorophenyl)-3-hydroxypropanenitrile
CID 79118056

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-4-methylsulfanylbutan-1-ol?
The IUPAC name of 1-(2,6-difluorophenyl)-4-methylsulfanylbutan-1-ol (CID 103089788) is 1-(2,6-difluorophenyl)-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 1-(2,6-difluorophenyl)-4-methylsulfanylbutan-1-ol is CSCCCC(O)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-4-methylsulfanylbutan-1-ol?
The InChIKey is NYVRKJBLCFLUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2OS/c1-15-7-3-6-10(14)11-8(12)4-2-5-9(11)13/h2,4-5,10,14H,3,6-7H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-4-methylsulfanylbutan-1-ol?
1-(2,6-difluorophenyl)-4-methylsulfanylbutan-1-ol has a molecular weight of 232.29 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 103089788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).