methyl N-[4-(difluoromethylsulfonyl)phenyl]carbamate

C9H9F2NO4S — CID 763905

IUPACmethyl N-[4-(difluoromethylsulfonyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C9H9F2NO4S/c1-16-9(13)12-6-2-4-7(5-3-6)17(14,15)8(10)11/h2-5,8H,1H3,(H,12,13)
InChIKeyCGSCFDOXBOYOGH-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.86
Rot. Bonds3

About methyl N-[4-(difluoromethylsulfonyl)phenyl]carbamate

methyl N-[4-(difluoromethylsulfonyl)phenyl]carbamate (PubChem CID 763905) has the molecular formula C9H9F2NO4S and a molecular weight of 265.24 g/mol. Its IUPAC name is methyl N-[4-(difluoromethylsulfonyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(difluoromethylsulfonyl)phenyl]carbamate
PubChem CID763905
Molecular FormulaC9H9F2NO4S
Molecular Weight265.24 g/mol
Exact Mass265.02
IUPAC Namemethyl N-[4-(difluoromethylsulfonyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C9H9F2NO4S/c1-16-9(13)12-6-2-4-7(5-3-6)17(14,15)8(10)11/h2-5,8H,1H3,(H,12,13)
InChIKeyCGSCFDOXBOYOGH-UHFFFAOYSA-N
XLogP1.86
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(difluoromethylsulfonyl)phenyl]carbamate?
The IUPAC name of methyl N-[4-(difluoromethylsulfonyl)phenyl]carbamate (CID 763905) is methyl N-[4-(difluoromethylsulfonyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(difluoromethylsulfonyl)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(difluoromethylsulfonyl)phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of methyl N-[4-(difluoromethylsulfonyl)phenyl]carbamate?
The InChIKey is CGSCFDOXBOYOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO4S/c1-16-9(13)12-6-2-4-7(5-3-6)17(14,15)8(10)11/h2-5,8H,1H3,(H,12,13).
What are the key properties of methyl N-[4-(difluoromethylsulfonyl)phenyl]carbamate?
methyl N-[4-(difluoromethylsulfonyl)phenyl]carbamate has a molecular weight of 265.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(difluoromethylsulfonyl)phenyl]carbamate is sourced from PubChem (CID 763905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).