methyl(trifluoromethyl)azanide

C2H3F3N- — CID 59171439

IUPACmethyl(trifluoromethyl)azanide
SMILESC[N-]C(F)(F)F
InChIInChI=1S/C2H3F3N/c1-6-2(3,4)5/h1H3/q-1
InChIKeyMYHPOZISSVSTCE-UHFFFAOYSA-N
MW98.05 g/mol
LogP1.51
Rot. Bonds

About methyl(trifluoromethyl)azanide

methyl(trifluoromethyl)azanide (PubChem CID 59171439) has the molecular formula C2H3F3N- and a molecular weight of 98.05 g/mol. Its IUPAC name is methyl(trifluoromethyl)azanide.

Molecular Properties

Compound Namemethyl(trifluoromethyl)azanide
PubChem CID59171439
Molecular FormulaC2H3F3N-
Molecular Weight98.05 g/mol
Exact Mass98.02
IUPAC Namemethyl(trifluoromethyl)azanide
SMILESC[N-]C(F)(F)F
InChIInChI=1S/C2H3F3N/c1-6-2(3,4)5/h1H3/q-1
InChIKeyMYHPOZISSVSTCE-UHFFFAOYSA-N
XLogP1.51
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.05
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl(trifluoromethyl)azanide?
The IUPAC name of methyl(trifluoromethyl)azanide (CID 59171439) is methyl(trifluoromethyl)azanide.
What is the SMILES notation for methyl(trifluoromethyl)azanide?
The canonical SMILES for methyl(trifluoromethyl)azanide is C[N-]C(F)(F)F.
What is the InChIKey of methyl(trifluoromethyl)azanide?
The InChIKey is MYHPOZISSVSTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3N/c1-6-2(3,4)5/h1H3/q-1.
What are the key properties of methyl(trifluoromethyl)azanide?
methyl(trifluoromethyl)azanide has a molecular weight of 98.05 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(trifluoromethyl)azanide is sourced from PubChem (CID 59171439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).