methyl(1,1,1-trifluoropropan-2-yl)diazene

C4H7F3N2 — CID 90852667

IUPACmethyl(1,1,1-trifluoropropan-2-yl)diazene
SMILESC/N=N/C(C)C(F)(F)F
InChIInChI=1S/C4H7F3N2/c1-3(9-8-2)4(5,6)7/h3H,1-2H3/b9-8+
InChIKeyPDBSFSUYZKEKCN-CMDGGOBGSA-N
MW140.11 g/mol
LogP2.02
Rot. Bonds1

About methyl(1,1,1-trifluoropropan-2-yl)diazene

methyl(1,1,1-trifluoropropan-2-yl)diazene (PubChem CID 90852667) has the molecular formula C4H7F3N2 and a molecular weight of 140.11 g/mol. Its IUPAC name is methyl(1,1,1-trifluoropropan-2-yl)diazene.

Molecular Properties

Compound Namemethyl(1,1,1-trifluoropropan-2-yl)diazene
PubChem CID90852667
Molecular FormulaC4H7F3N2
Molecular Weight140.11 g/mol
Exact Mass140.06
IUPAC Namemethyl(1,1,1-trifluoropropan-2-yl)diazene
SMILESC/N=N/C(C)C(F)(F)F
InChIInChI=1S/C4H7F3N2/c1-3(9-8-2)4(5,6)7/h3H,1-2H3/b9-8+
InChIKeyPDBSFSUYZKEKCN-CMDGGOBGSA-N
XLogP2.02
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 ≤ 52.02
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl(1,1,1-trifluoropropan-2-yl)diazene?
The IUPAC name of methyl(1,1,1-trifluoropropan-2-yl)diazene (CID 90852667) is methyl(1,1,1-trifluoropropan-2-yl)diazene.
What is the SMILES notation for methyl(1,1,1-trifluoropropan-2-yl)diazene?
The canonical SMILES for methyl(1,1,1-trifluoropropan-2-yl)diazene is C/N=N/C(C)C(F)(F)F.
What is the InChIKey of methyl(1,1,1-trifluoropropan-2-yl)diazene?
The InChIKey is PDBSFSUYZKEKCN-CMDGGOBGSA-N. The full InChI is InChI=1S/C4H7F3N2/c1-3(9-8-2)4(5,6)7/h3H,1-2H3/b9-8+.
What are the key properties of methyl(1,1,1-trifluoropropan-2-yl)diazene?
methyl(1,1,1-trifluoropropan-2-yl)diazene has a molecular weight of 140.11 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(1,1,1-trifluoropropan-2-yl)diazene is sourced from PubChem (CID 90852667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).