1,2-bis[2-nitro-4-(trifluoromethyl)phenyl]hydrazine

C14H8F6N4O4 — CID 3376313

IUPAC1,2-bis[2-nitro-4-(trifluoromethyl)phenyl]hydrazine
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H8F6N4O4/c15-13(16,17)7-1-3-9(11(5-7)23(25)26)21-22-10-4-2-8(14(18,19)20)6-12(10)24(27)28/h1-6,21-22H
InChIKeyXBVHDRFDPMYMGI-UHFFFAOYSA-N
MW410.23 g/mol
LogP4.98
Rot. Bonds5

About 1,2-bis[2-nitro-4-(trifluoromethyl)phenyl]hydrazine

1,2-bis[2-nitro-4-(trifluoromethyl)phenyl]hydrazine (PubChem CID 3376313) has the molecular formula C14H8F6N4O4 and a molecular weight of 410.23 g/mol. Its IUPAC name is 1,2-bis[2-nitro-4-(trifluoromethyl)phenyl]hydrazine.

Molecular Properties

Compound Name1,2-bis[2-nitro-4-(trifluoromethyl)phenyl]hydrazine
PubChem CID3376313
Molecular FormulaC14H8F6N4O4
Molecular Weight410.23 g/mol
Exact Mass410.04
IUPAC Name1,2-bis[2-nitro-4-(trifluoromethyl)phenyl]hydrazine
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H8F6N4O4/c15-13(16,17)7-1-3-9(11(5-7)23(25)26)21-22-10-4-2-8(14(18,19)20)6-12(10)24(27)28/h1-6,21-22H
InChIKeyXBVHDRFDPMYMGI-UHFFFAOYSA-N
XLogP4.98
TPSA110.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.23
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 1,2-bis[2-nitro-4-(trifluoromethyl)phenyl]hydrazine?
The IUPAC name of 1,2-bis[2-nitro-4-(trifluoromethyl)phenyl]hydrazine (CID 3376313) is 1,2-bis[2-nitro-4-(trifluoromethyl)phenyl]hydrazine.
What is the SMILES notation for 1,2-bis[2-nitro-4-(trifluoromethyl)phenyl]hydrazine?
The canonical SMILES for 1,2-bis[2-nitro-4-(trifluoromethyl)phenyl]hydrazine is O=[N+]([O-])c1cc(C(F)(F)F)ccc1NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 1,2-bis[2-nitro-4-(trifluoromethyl)phenyl]hydrazine?
The InChIKey is XBVHDRFDPMYMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6N4O4/c15-13(16,17)7-1-3-9(11(5-7)23(25)26)21-22-10-4-2-8(14(18,19)20)6-12(10)24(27)28/h1-6,21-22H.
What are the key properties of 1,2-bis[2-nitro-4-(trifluoromethyl)phenyl]hydrazine?
1,2-bis[2-nitro-4-(trifluoromethyl)phenyl]hydrazine has a molecular weight of 410.23 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2-nitro-4-(trifluoromethyl)phenyl]hydrazine is sourced from PubChem (CID 3376313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).