fluoro(trifluoromethyl)cyanamide

C2F4N2 — CID 23235957

IUPACfluoro(trifluoromethyl)cyanamide
SMILESN#CN(F)C(F)(F)F
InChIInChI=1S/C2F4N2/c3-2(4,5)8(6)1-7
InChIKeyTVKWGLKEJPSEAD-UHFFFAOYSA-N
MW128.03 g/mol
LogP1.17
Rot. Bonds

About fluoro(trifluoromethyl)cyanamide

fluoro(trifluoromethyl)cyanamide (PubChem CID 23235957) has the molecular formula C2F4N2 and a molecular weight of 128.03 g/mol. Its IUPAC name is fluoro(trifluoromethyl)cyanamide.

Molecular Properties

Compound Namefluoro(trifluoromethyl)cyanamide
PubChem CID23235957
Molecular FormulaC2F4N2
Molecular Weight128.03 g/mol
Exact Mass128.00
IUPAC Namefluoro(trifluoromethyl)cyanamide
SMILESN#CN(F)C(F)(F)F
InChIInChI=1S/C2F4N2/c3-2(4,5)8(6)1-7
InChIKeyTVKWGLKEJPSEAD-UHFFFAOYSA-N
XLogP1.17
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.03
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze fluoro(trifluoromethyl)cyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of fluoro(trifluoromethyl)cyanamide?
The IUPAC name of fluoro(trifluoromethyl)cyanamide (CID 23235957) is fluoro(trifluoromethyl)cyanamide.
What is the SMILES notation for fluoro(trifluoromethyl)cyanamide?
The canonical SMILES for fluoro(trifluoromethyl)cyanamide is N#CN(F)C(F)(F)F.
What is the InChIKey of fluoro(trifluoromethyl)cyanamide?
The InChIKey is TVKWGLKEJPSEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F4N2/c3-2(4,5)8(6)1-7.
What are the key properties of fluoro(trifluoromethyl)cyanamide?
fluoro(trifluoromethyl)cyanamide has a molecular weight of 128.03 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(trifluoromethyl)cyanamide is sourced from PubChem (CID 23235957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).