1-(difluoromethoxy)-2-methyl-4-propan-2-ylsulfanylbenzene

C11H14F2OS — CID 130358860

IUPAC1-(difluoromethoxy)-2-methyl-4-propan-2-ylsulfanylbenzene
SMILESCc1cc(SC(C)C)ccc1OC(F)F
InChIInChI=1S/C11H14F2OS/c1-7(2)15-9-4-5-10(8(3)6-9)14-11(12)13/h4-7,11H,1-3H3
InChIKeyYBKFPCDMGHQVBO-UHFFFAOYSA-N
MW232.29 g/mol
LogP4.10
Rot. Bonds4

About 1-(difluoromethoxy)-2-methyl-4-propan-2-ylsulfanylbenzene

1-(difluoromethoxy)-2-methyl-4-propan-2-ylsulfanylbenzene (PubChem CID 130358860) has the molecular formula C11H14F2OS and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-methyl-4-propan-2-ylsulfanylbenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-methyl-4-propan-2-ylsulfanylbenzene
PubChem CID130358860
Molecular FormulaC11H14F2OS
Molecular Weight232.29 g/mol
Exact Mass232.07
IUPAC Name1-(difluoromethoxy)-2-methyl-4-propan-2-ylsulfanylbenzene
SMILESCc1cc(SC(C)C)ccc1OC(F)F
InChIInChI=1S/C11H14F2OS/c1-7(2)15-9-4-5-10(8(3)6-9)14-11(12)13/h4-7,11H,1-3H3
InChIKeyYBKFPCDMGHQVBO-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-methyl-4-propan-2-ylsulfanylbenzene?
The IUPAC name of 1-(difluoromethoxy)-2-methyl-4-propan-2-ylsulfanylbenzene (CID 130358860) is 1-(difluoromethoxy)-2-methyl-4-propan-2-ylsulfanylbenzene.
What is the SMILES notation for 1-(difluoromethoxy)-2-methyl-4-propan-2-ylsulfanylbenzene?
The canonical SMILES for 1-(difluoromethoxy)-2-methyl-4-propan-2-ylsulfanylbenzene is Cc1cc(SC(C)C)ccc1OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-2-methyl-4-propan-2-ylsulfanylbenzene?
The InChIKey is YBKFPCDMGHQVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2OS/c1-7(2)15-9-4-5-10(8(3)6-9)14-11(12)13/h4-7,11H,1-3H3.
What are the key properties of 1-(difluoromethoxy)-2-methyl-4-propan-2-ylsulfanylbenzene?
1-(difluoromethoxy)-2-methyl-4-propan-2-ylsulfanylbenzene has a molecular weight of 232.29 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-methyl-4-propan-2-ylsulfanylbenzene is sourced from PubChem (CID 130358860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).