1-(2,4-difluorophenyl)sulfanyl-2-methylbutan-2-ol

C11H14F2OS — CID 114496170

IUPAC1-(2,4-difluorophenyl)sulfanyl-2-methylbutan-2-ol
SMILESCCC(C)(O)CSc1ccc(F)cc1F
InChIInChI=1S/C11H14F2OS/c1-3-11(2,14)7-15-10-5-4-8(12)6-9(10)13/h4-6,14H,3,7H2,1-2H3
InChIKeyZJMDTUADPBVXSB-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.22
Rot. Bonds4

About 1-(2,4-difluorophenyl)sulfanyl-2-methylbutan-2-ol

1-(2,4-difluorophenyl)sulfanyl-2-methylbutan-2-ol (PubChem CID 114496170) has the molecular formula C11H14F2OS and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfanyl-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfanyl-2-methylbutan-2-ol
PubChem CID114496170
Molecular FormulaC11H14F2OS
Molecular Weight232.29 g/mol
Exact Mass232.07
IUPAC Name1-(2,4-difluorophenyl)sulfanyl-2-methylbutan-2-ol
SMILESCCC(C)(O)CSc1ccc(F)cc1F
InChIInChI=1S/C11H14F2OS/c1-3-11(2,14)7-15-10-5-4-8(12)6-9(10)13/h4-6,14H,3,7H2,1-2H3
InChIKeyZJMDTUADPBVXSB-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfanyl-2-methylbutan-2-ol?
The IUPAC name of 1-(2,4-difluorophenyl)sulfanyl-2-methylbutan-2-ol (CID 114496170) is 1-(2,4-difluorophenyl)sulfanyl-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfanyl-2-methylbutan-2-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfanyl-2-methylbutan-2-ol is CCC(C)(O)CSc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfanyl-2-methylbutan-2-ol?
The InChIKey is ZJMDTUADPBVXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2OS/c1-3-11(2,14)7-15-10-5-4-8(12)6-9(10)13/h4-6,14H,3,7H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)sulfanyl-2-methylbutan-2-ol?
1-(2,4-difluorophenyl)sulfanyl-2-methylbutan-2-ol has a molecular weight of 232.29 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfanyl-2-methylbutan-2-ol is sourced from PubChem (CID 114496170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).