ethyl(trifluoromethyl)azanide

C3H5F3N- — CID 154088294

IUPACethyl(trifluoromethyl)azanide
SMILESCC[N-]C(F)(F)F
InChIInChI=1S/C3H5F3N/c1-2-7-3(4,5)6/h2H2,1H3/q-1
InChIKeyHZXDTJGUHDVFTQ-UHFFFAOYSA-N
MW112.07 g/mol
LogP1.90
Rot. Bonds1

About ethyl(trifluoromethyl)azanide

ethyl(trifluoromethyl)azanide (PubChem CID 154088294) has the molecular formula C3H5F3N- and a molecular weight of 112.07 g/mol. Its IUPAC name is ethyl(trifluoromethyl)azanide.

Molecular Properties

Compound Nameethyl(trifluoromethyl)azanide
PubChem CID154088294
Molecular FormulaC3H5F3N-
Molecular Weight112.07 g/mol
Exact Mass112.04
IUPAC Nameethyl(trifluoromethyl)azanide
SMILESCC[N-]C(F)(F)F
InChIInChI=1S/C3H5F3N/c1-2-7-3(4,5)6/h2H2,1H3/q-1
InChIKeyHZXDTJGUHDVFTQ-UHFFFAOYSA-N
XLogP1.90
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.07
LogP ≤ 51.90
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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Related Compounds

lithium ethyl(3-ethylpentan-3-yl)azanide
CID 142706424
bis(ethyl-(4-ethylazanidyl-1,1,1-trifluoropentan-2-yl)azanide);nickel
CID 166057269
butane;trichloro(fluoro)methane
CID 159264115
ethane;2-fluoro-2-methylbutane
CID 143329956
N-ethyl-2,2,2-trifluoroethanamine
CID 12769779
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononan-1-ol
CID 87670862
1-ethyl-2-(2,2,2-trifluoroethyl)hydrazine
CID 118974813
(E)-1,1,1,4,4,4-hexafluorobut-2-ene;propane
CID 90329560
CID 22621612
CID 22621612
3-fluoro-3-(trifluoromethyl)pentane
CID 59742437
methanamine;1,1,1-trifluoropropane;hydrochloride
CID 175403135
1-chloro-1,1-difluoropropane;trichloro(fluoro)methane
CID 135365106

Frequently Asked Questions

What is the IUPAC name of ethyl(trifluoromethyl)azanide?
The IUPAC name of ethyl(trifluoromethyl)azanide (CID 154088294) is ethyl(trifluoromethyl)azanide.
What is the SMILES notation for ethyl(trifluoromethyl)azanide?
The canonical SMILES for ethyl(trifluoromethyl)azanide is CC[N-]C(F)(F)F.
What is the InChIKey of ethyl(trifluoromethyl)azanide?
The InChIKey is HZXDTJGUHDVFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3N/c1-2-7-3(4,5)6/h2H2,1H3/q-1.
What are the key properties of ethyl(trifluoromethyl)azanide?
ethyl(trifluoromethyl)azanide has a molecular weight of 112.07 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(trifluoromethyl)azanide is sourced from PubChem (CID 154088294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).