HKVHNEQRTWVXDW-UHFFFAOYSA-N

C₅H₁₀F₃NO₃S — CID 147797388

About HKVHNEQRTWVXDW-UHFFFAOYSA-N

HKVHNEQRTWVXDW-UHFFFAOYSA-N (PubChem CID 147797388) has the molecular formula C₅H₁₀F₃NO₃S and a molecular weight of 221.20 g/mol. Its IUPAC name is methyl(4,4,4-trifluorobutyl)sulfamic acid.

Molecular Properties

• Compound Name: HKVHNEQRTWVXDW-UHFFFAOYSA-N
• PubChem CID: 147797388
• Molecular Formula: C₅H₁₀F₃NO₃S
• Molecular Weight: 221.20 g/mol
• Exact Mass: 221.03
• IUPAC Name: methyl(4,4,4-trifluorobutyl)sulfamic acid
• SMILES: CN(CCCC(F)(F)F)S(=O)(=O)O
• InChI: InChI=1S/C5H10F3NO3S/c1-9(13(10,11)12)4-2-3-5(6,7)8/h2-4H2,1H3,(H,10,11,12)
• InChIKey: HKVHNEQRTWVXDW-UHFFFAOYSA-N
• XLogP: 1.06
• TPSA: 57.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	221.20
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of HKVHNEQRTWVXDW-UHFFFAOYSA-N?

The IUPAC name of HKVHNEQRTWVXDW-UHFFFAOYSA-N (CID 147797388) is methyl(4,4,4-trifluorobutyl)sulfamic acid.

What is the SMILES notation for HKVHNEQRTWVXDW-UHFFFAOYSA-N?

The canonical SMILES for HKVHNEQRTWVXDW-UHFFFAOYSA-N is CN(CCCC(F)(F)F)S(=O)(=O)O.

What is the InChIKey of HKVHNEQRTWVXDW-UHFFFAOYSA-N?

The InChIKey is HKVHNEQRTWVXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO3S/c1-9(13(10,11)12)4-2-3-5(6,7)8/h2-4H2,1H3,(H,10,11,12).

What are the key properties of HKVHNEQRTWVXDW-UHFFFAOYSA-N?

HKVHNEQRTWVXDW-UHFFFAOYSA-N has a molecular weight of 221.20 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for HKVHNEQRTWVXDW-UHFFFAOYSA-N is sourced from PubChem (CID 147797388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 147797388 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.