1-(difluoromethoxy)-4-(propylsulfonylmethyl)benzene

C11H14F2O3S — CID 18337001

IUPAC1-(difluoromethoxy)-4-(propylsulfonylmethyl)benzene
SMILESCCCS(=O)(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H14F2O3S/c1-2-7-17(14,15)8-9-3-5-10(6-4-9)16-11(12)13/h3-6,11H,2,7-8H2,1H3
InChIKeyREJDMFINTIZOJS-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.61
Rot. Bonds6

About 1-(difluoromethoxy)-4-(propylsulfonylmethyl)benzene

1-(difluoromethoxy)-4-(propylsulfonylmethyl)benzene (PubChem CID 18337001) has the molecular formula C11H14F2O3S and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-(propylsulfonylmethyl)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-(propylsulfonylmethyl)benzene
PubChem CID18337001
Molecular FormulaC11H14F2O3S
Molecular Weight264.29 g/mol
Exact Mass264.06
IUPAC Name1-(difluoromethoxy)-4-(propylsulfonylmethyl)benzene
SMILESCCCS(=O)(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H14F2O3S/c1-2-7-17(14,15)8-9-3-5-10(6-4-9)16-11(12)13/h3-6,11H,2,7-8H2,1H3
InChIKeyREJDMFINTIZOJS-UHFFFAOYSA-N
XLogP2.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
1-(difluoromethoxy)-4-ethylsulfonylbenzene
CID 71207645
1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene
CID 31076489
1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene
CID 19436101
4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline
CID 106723145
butyl 2-[4-(difluoromethoxy)phenyl]acetate
CID 113221190
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
CID 110901993
1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane
CID 161273010
1-(difluoromethoxy)-4-(4-heptylphenyl)benzene
CID 19436442
N-butyl-2-[4-(difluoromethoxy)phenyl]-N-ethylacetamide
CID 86907972
4-(difluoromethoxy)benzenesulfonate
CID 150290603

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-(propylsulfonylmethyl)benzene?
The IUPAC name of 1-(difluoromethoxy)-4-(propylsulfonylmethyl)benzene (CID 18337001) is 1-(difluoromethoxy)-4-(propylsulfonylmethyl)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-(propylsulfonylmethyl)benzene?
The canonical SMILES for 1-(difluoromethoxy)-4-(propylsulfonylmethyl)benzene is CCCS(=O)(=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-(propylsulfonylmethyl)benzene?
The InChIKey is REJDMFINTIZOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O3S/c1-2-7-17(14,15)8-9-3-5-10(6-4-9)16-11(12)13/h3-6,11H,2,7-8H2,1H3.
What are the key properties of 1-(difluoromethoxy)-4-(propylsulfonylmethyl)benzene?
1-(difluoromethoxy)-4-(propylsulfonylmethyl)benzene has a molecular weight of 264.29 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-(propylsulfonylmethyl)benzene is sourced from PubChem (CID 18337001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).