2-methylpropylsulfamic acid;hydrofluoride

C4H12FNO3S — CID 88745349

IUPAC2-methylpropylsulfamic acid;hydrofluoride
SMILESCC(C)CNS(=O)(=O)O.F
InChIInChI=1S/C4H11NO3S.FH/c1-4(2)3-5-9(6,7)8;/h4-5H,3H2,1-2H3,(H,6,7,8);1H
InChIKeyONFCSXVVZDZVNU-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.19
Rot. Bonds3

About 2-methylpropylsulfamic acid;hydrofluoride

2-methylpropylsulfamic acid;hydrofluoride (PubChem CID 88745349) has the molecular formula C4H12FNO3S and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-methylpropylsulfamic acid;hydrofluoride.

Molecular Properties

Compound Name2-methylpropylsulfamic acid;hydrofluoride
PubChem CID88745349
Molecular FormulaC4H12FNO3S
Molecular Weight173.21 g/mol
Exact Mass173.05
IUPAC Name2-methylpropylsulfamic acid;hydrofluoride
SMILESCC(C)CNS(=O)(=O)O.F
InChIInChI=1S/C4H11NO3S.FH/c1-4(2)3-5-9(6,7)8;/h4-5H,3H2,1-2H3,(H,6,7,8);1H
InChIKeyONFCSXVVZDZVNU-UHFFFAOYSA-N
XLogP0.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropylsulfamic acid;hydrofluoride?
The IUPAC name of 2-methylpropylsulfamic acid;hydrofluoride (CID 88745349) is 2-methylpropylsulfamic acid;hydrofluoride.
What is the SMILES notation for 2-methylpropylsulfamic acid;hydrofluoride?
The canonical SMILES for 2-methylpropylsulfamic acid;hydrofluoride is CC(C)CNS(=O)(=O)O.F.
What is the InChIKey of 2-methylpropylsulfamic acid;hydrofluoride?
The InChIKey is ONFCSXVVZDZVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S.FH/c1-4(2)3-5-9(6,7)8;/h4-5H,3H2,1-2H3,(H,6,7,8);1H.
What are the key properties of 2-methylpropylsulfamic acid;hydrofluoride?
2-methylpropylsulfamic acid;hydrofluoride has a molecular weight of 173.21 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropylsulfamic acid;hydrofluoride is sourced from PubChem (CID 88745349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).