[difluoromethylsulfonyl(methoxy)methyl]benzene

C9H10F2O3S — CID 173035541

IUPAC[difluoromethylsulfonyl(methoxy)methyl]benzene
SMILESCOC(c1ccccc1)S(=O)(=O)C(F)F
InChIInChI=1S/C9H10F2O3S/c1-14-8(15(12,13)9(10)11)7-5-3-2-4-6-7/h2-6,8-9H,1H3
InChIKeyPUIQEEZWDOPPBT-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.97
Rot. Bonds4

About [difluoromethylsulfonyl(methoxy)methyl]benzene

[difluoromethylsulfonyl(methoxy)methyl]benzene (PubChem CID 173035541) has the molecular formula C9H10F2O3S and a molecular weight of 236.24 g/mol. Its IUPAC name is [difluoromethylsulfonyl(methoxy)methyl]benzene.

Molecular Properties

Compound Name[difluoromethylsulfonyl(methoxy)methyl]benzene
PubChem CID173035541
Molecular FormulaC9H10F2O3S
Molecular Weight236.24 g/mol
Exact Mass236.03
IUPAC Name[difluoromethylsulfonyl(methoxy)methyl]benzene
SMILESCOC(c1ccccc1)S(=O)(=O)C(F)F
InChIInChI=1S/C9H10F2O3S/c1-14-8(15(12,13)9(10)11)7-5-3-2-4-6-7/h2-6,8-9H,1H3
InChIKeyPUIQEEZWDOPPBT-UHFFFAOYSA-N
XLogP1.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [difluoromethylsulfonyl(methoxy)methyl]benzene?
The IUPAC name of [difluoromethylsulfonyl(methoxy)methyl]benzene (CID 173035541) is [difluoromethylsulfonyl(methoxy)methyl]benzene.
What is the SMILES notation for [difluoromethylsulfonyl(methoxy)methyl]benzene?
The canonical SMILES for [difluoromethylsulfonyl(methoxy)methyl]benzene is COC(c1ccccc1)S(=O)(=O)C(F)F.
What is the InChIKey of [difluoromethylsulfonyl(methoxy)methyl]benzene?
The InChIKey is PUIQEEZWDOPPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O3S/c1-14-8(15(12,13)9(10)11)7-5-3-2-4-6-7/h2-6,8-9H,1H3.
What are the key properties of [difluoromethylsulfonyl(methoxy)methyl]benzene?
[difluoromethylsulfonyl(methoxy)methyl]benzene has a molecular weight of 236.24 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoromethylsulfonyl(methoxy)methyl]benzene is sourced from PubChem (CID 173035541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).