propan-2-yl(trifluoromethyl)diazene

C4H7F3N2 — CID 102516684

IUPACpropan-2-yl(trifluoromethyl)diazene
SMILESCC(C)/N=N/C(F)(F)F
InChIInChI=1S/C4H7F3N2/c1-3(2)8-9-4(5,6)7/h3H,1-2H3/b9-8+
InChIKeyVUMJKSQREWYJHZ-CMDGGOBGSA-N
MW140.11 g/mol
LogP2.37
Rot. Bonds1

About propan-2-yl(trifluoromethyl)diazene

propan-2-yl(trifluoromethyl)diazene (PubChem CID 102516684) has the molecular formula C4H7F3N2 and a molecular weight of 140.11 g/mol. Its IUPAC name is propan-2-yl(trifluoromethyl)diazene.

Molecular Properties

Compound Namepropan-2-yl(trifluoromethyl)diazene
PubChem CID102516684
Molecular FormulaC4H7F3N2
Molecular Weight140.11 g/mol
Exact Mass140.06
IUPAC Namepropan-2-yl(trifluoromethyl)diazene
SMILESCC(C)/N=N/C(F)(F)F
InChIInChI=1S/C4H7F3N2/c1-3(2)8-9-4(5,6)7/h3H,1-2H3/b9-8+
InChIKeyVUMJKSQREWYJHZ-CMDGGOBGSA-N
XLogP2.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.11
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl(trifluoromethyl)diazene?
The IUPAC name of propan-2-yl(trifluoromethyl)diazene (CID 102516684) is propan-2-yl(trifluoromethyl)diazene.
What is the SMILES notation for propan-2-yl(trifluoromethyl)diazene?
The canonical SMILES for propan-2-yl(trifluoromethyl)diazene is CC(C)/N=N/C(F)(F)F.
What is the InChIKey of propan-2-yl(trifluoromethyl)diazene?
The InChIKey is VUMJKSQREWYJHZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C4H7F3N2/c1-3(2)8-9-4(5,6)7/h3H,1-2H3/b9-8+.
What are the key properties of propan-2-yl(trifluoromethyl)diazene?
propan-2-yl(trifluoromethyl)diazene has a molecular weight of 140.11 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl(trifluoromethyl)diazene is sourced from PubChem (CID 102516684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).