1-N',1-N',2-N,2-N-tetrafluoro-2-nitroethane-1,1,2-triamine

C2H4F4N4O2 — CID 53440224

IUPAC1-N',1-N',2-N,2-N-tetrafluoro-2-nitroethane-1,1,2-triamine
SMILESNC(C(N(F)F)[N+](=O)[O-])N(F)F
InChIInChI=1S/C2H4F4N4O2/c3-8(4)1(7)2(9(5)6)10(11)12/h1-2H,7H2
InChIKeyAVLZPAXYANRXOB-UHFFFAOYSA-N
MW192.07 g/mol
LogP0.02
Rot. Bonds4

About 1-N',1-N',2-N,2-N-tetrafluoro-2-nitroethane-1,1,2-triamine

1-N',1-N',2-N,2-N-tetrafluoro-2-nitroethane-1,1,2-triamine (PubChem CID 53440224) has the molecular formula C2H4F4N4O2 and a molecular weight of 192.07 g/mol. Its IUPAC name is 1-N',1-N',2-N,2-N-tetrafluoro-2-nitroethane-1,1,2-triamine.

Molecular Properties

Compound Name1-N',1-N',2-N,2-N-tetrafluoro-2-nitroethane-1,1,2-triamine
PubChem CID53440224
Molecular FormulaC2H4F4N4O2
Molecular Weight192.07 g/mol
Exact Mass192.03
IUPAC Name1-N',1-N',2-N,2-N-tetrafluoro-2-nitroethane-1,1,2-triamine
SMILESNC(C(N(F)F)[N+](=O)[O-])N(F)F
InChIInChI=1S/C2H4F4N4O2/c3-8(4)1(7)2(9(5)6)10(11)12/h1-2H,7H2
InChIKeyAVLZPAXYANRXOB-UHFFFAOYSA-N
XLogP0.02
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.07
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N',1-N',2-N,2-N-tetrafluoro-2-nitroethane-1,1,2-triamine?
The IUPAC name of 1-N',1-N',2-N,2-N-tetrafluoro-2-nitroethane-1,1,2-triamine (CID 53440224) is 1-N',1-N',2-N,2-N-tetrafluoro-2-nitroethane-1,1,2-triamine.
What is the SMILES notation for 1-N',1-N',2-N,2-N-tetrafluoro-2-nitroethane-1,1,2-triamine?
The canonical SMILES for 1-N',1-N',2-N,2-N-tetrafluoro-2-nitroethane-1,1,2-triamine is NC(C(N(F)F)[N+](=O)[O-])N(F)F.
What is the InChIKey of 1-N',1-N',2-N,2-N-tetrafluoro-2-nitroethane-1,1,2-triamine?
The InChIKey is AVLZPAXYANRXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F4N4O2/c3-8(4)1(7)2(9(5)6)10(11)12/h1-2H,7H2.
What are the key properties of 1-N',1-N',2-N,2-N-tetrafluoro-2-nitroethane-1,1,2-triamine?
1-N',1-N',2-N,2-N-tetrafluoro-2-nitroethane-1,1,2-triamine has a molecular weight of 192.07 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N',2-N,2-N-tetrafluoro-2-nitroethane-1,1,2-triamine is sourced from PubChem (CID 53440224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).