N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanimidamide

C10H5F7N4O4 — CID 15906760

IUPACN'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanimidamide
SMILESN/C(=N\c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)C(F)F
InChIInChI=1S/C10H5F7N4O4/c11-7(12)9(13,14)8(18)19-6-4(20(22)23)1-3(10(15,16)17)2-5(6)21(24)25/h1-2,7H,(H2,18,19)
InChIKeyKZZYFUDJBFGSOA-UHFFFAOYSA-N
MW378.16 g/mol
LogP3.41
Rot. Bonds5

About N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanimidamide

N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanimidamide (PubChem CID 15906760) has the molecular formula C10H5F7N4O4 and a molecular weight of 378.16 g/mol. Its IUPAC name is N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanimidamide.

Molecular Properties

Compound NameN'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanimidamide
PubChem CID15906760
Molecular FormulaC10H5F7N4O4
Molecular Weight378.16 g/mol
Exact Mass378.02
IUPAC NameN'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanimidamide
SMILESN/C(=N\c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)C(F)F
InChIInChI=1S/C10H5F7N4O4/c11-7(12)9(13,14)8(18)19-6-4(20(22)23)1-3(10(15,16)17)2-5(6)21(24)25/h1-2,7H,(H2,18,19)
InChIKeyKZZYFUDJBFGSOA-UHFFFAOYSA-N
XLogP3.41
TPSA124.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.16
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dibromo-N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-fluoroethanimidamide
CID 15906757
2,2-dichloro-N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-fluoroethanimidamide
CID 22617187
2-bromo-N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,3,3,3-tetrafluoropropanimidamide
CID 22617167
N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2-difluoro-2-methylsulfanylethanimidamide
CID 22617146
2,2-dichloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]ethanimidoyl chloride
CID 139900925
3-bromo-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanimidoyl chloride
CID 139900916
2,2-dichloro-N'-ethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]ethanimidamide
CID 150256780
2-iodo-1,3-dinitro-5-(trifluoromethyl)benzene
CID 141165200
2-iodo-6-nitro-4-(trifluoromethyl)benzamide
CID 171018413
2-isocyanato-3-nitro-5-(trifluoromethyl)benzoic acid
CID 169355626
2-azido-1-chloro-3-nitro-5-(trifluoromethyl)benzene
CID 152639889
2-(difluoromethyl)-1-nitro-4-(trifluoromethyl)benzene
CID 46311752

Frequently Asked Questions

What is the IUPAC name of N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanimidamide?
The IUPAC name of N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanimidamide (CID 15906760) is N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanimidamide.
What is the SMILES notation for N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanimidamide?
The canonical SMILES for N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanimidamide is N/C(=N\c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)C(F)F.
What is the InChIKey of N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanimidamide?
The InChIKey is KZZYFUDJBFGSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F7N4O4/c11-7(12)9(13,14)8(18)19-6-4(20(22)23)1-3(10(15,16)17)2-5(6)21(24)25/h1-2,7H,(H2,18,19).
What are the key properties of N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanimidamide?
N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanimidamide has a molecular weight of 378.16 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2,2,3,3-tetrafluoropropanimidamide is sourced from PubChem (CID 15906760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).