1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol

C11H14F2OS — CID 105402534

IUPAC1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol
SMILESCSCCC(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2OS/c1-15-3-2-11(14)6-8-4-9(12)7-10(13)5-8/h4-5,7,11,14H,2-3,6H2,1H3
InChIKeyKYAUEBHJHMOAOJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.62
Rot. Bonds5

About 1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol

1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol (PubChem CID 105402534) has the molecular formula C11H14F2OS and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol
PubChem CID105402534
Molecular FormulaC11H14F2OS
Molecular Weight232.29 g/mol
Exact Mass232.07
IUPAC Name1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol
SMILESCSCCC(O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H14F2OS/c1-15-3-2-11(14)6-8-4-9(12)7-10(13)5-8/h4-5,7,11,14H,2-3,6H2,1H3
InChIKeyKYAUEBHJHMOAOJ-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-4-methylsulfanylbutan-2-ol
CID 63901398
1-(3,5-difluorophenyl)-5-methoxypentan-2-ol
CID 115601584
4-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 65148752
1-amino-3-(3,5-difluorophenyl)propan-2-ol
CID 83442505
1-(3-chlorophenyl)-4-methylsulfanylbutan-2-ol
CID 63900166
1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-2-ol
CID 114852183
4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 63899352
1-(3-bromo-5-fluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105169473
1-(3,5-difluorophenyl)hexane-2,3-diol
CID 103454783
1-(3,5-difluorophenyl)-4-(1-methylimidazol-2-yl)butan-2-ol
CID 114529701
1-(3,5-difluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 105406084
1-(3,5-difluorophenyl)-2-methylpentan-3-ol
CID 105407726

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol?
The IUPAC name of 1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol (CID 105402534) is 1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol.
What is the SMILES notation for 1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol?
The canonical SMILES for 1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol is CSCCC(O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol?
The InChIKey is KYAUEBHJHMOAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2OS/c1-15-3-2-11(14)6-8-4-9(12)7-10(13)5-8/h4-5,7,11,14H,2-3,6H2,1H3.
What are the key properties of 1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol?
1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol has a molecular weight of 232.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol is sourced from PubChem (CID 105402534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).