carbamoyl difluoromethanesulfonate

C2H3F2NO4S — CID 150341859

IUPACcarbamoyl difluoromethanesulfonate
SMILESNC(=O)OS(=O)(=O)C(F)F
InChIInChI=1S/C2H3F2NO4S/c3-1(4)10(7,8)9-2(5)6/h1H,(H2,5,6)
InChIKeyGRWLUEUMLNWVCK-UHFFFAOYSA-N
MW175.11 g/mol
LogP-0.37
Rot. Bonds2

About carbamoyl difluoromethanesulfonate

carbamoyl difluoromethanesulfonate (PubChem CID 150341859) has the molecular formula C2H3F2NO4S and a molecular weight of 175.11 g/mol. Its IUPAC name is carbamoyl difluoromethanesulfonate.

Molecular Properties

Compound Namecarbamoyl difluoromethanesulfonate
PubChem CID150341859
Molecular FormulaC2H3F2NO4S
Molecular Weight175.11 g/mol
Exact Mass174.98
IUPAC Namecarbamoyl difluoromethanesulfonate
SMILESNC(=O)OS(=O)(=O)C(F)F
InChIInChI=1S/C2H3F2NO4S/c3-1(4)10(7,8)9-2(5)6/h1H,(H2,5,6)
InChIKeyGRWLUEUMLNWVCK-UHFFFAOYSA-N
XLogP-0.37
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.11
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

ethenoxycarbonyl difluoromethanesulfonate
CID 160609960
hydroxysilane;sulfo carbamate
CID 174435108
methoxycarbonyl difluoromethanesulfonate;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 174585262
cerium;fluoro difluoromethanesulfonate
CID 175560297
magnesium;fluoro difluoromethanesulfonate;hydride
CID 173351279
(4-tert-butylphenyl)-diphenylsulfanium;methoxycarbonyl difluoromethanesulfonate
CID 87123789
trifluoromethyl difluoromethanesulfonate
CID 154354026
2,2-difluoroacetamide
CID 2782321
tert-butyl difluoromethanesulfonate
CID 175837942
carbamoyloxysulfonyl(triethyl)azanium
CID 118981824
copper;difluoromethanesulfonic acid
CID 174361368
samarium;urea
CID 175944196

Frequently Asked Questions

What is the IUPAC name of carbamoyl difluoromethanesulfonate?
The IUPAC name of carbamoyl difluoromethanesulfonate (CID 150341859) is carbamoyl difluoromethanesulfonate.
What is the SMILES notation for carbamoyl difluoromethanesulfonate?
The canonical SMILES for carbamoyl difluoromethanesulfonate is NC(=O)OS(=O)(=O)C(F)F.
What is the InChIKey of carbamoyl difluoromethanesulfonate?
The InChIKey is GRWLUEUMLNWVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F2NO4S/c3-1(4)10(7,8)9-2(5)6/h1H,(H2,5,6).
What are the key properties of carbamoyl difluoromethanesulfonate?
carbamoyl difluoromethanesulfonate has a molecular weight of 175.11 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl difluoromethanesulfonate is sourced from PubChem (CID 150341859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).