2-chloro-N'-(3,4,6-trifluoro-2-nitrophenyl)ethanimidamide

C8H5ClF3N3O2 — CID 169369176

IUPAC2-chloro-N'-(3,4,6-trifluoro-2-nitrophenyl)ethanimidamide
SMILESN/C(CCl)=N/c1c(F)cc(F)c(F)c1[N+](=O)[O-]
InChIInChI=1S/C8H5ClF3N3O2/c9-2-5(13)14-7-4(11)1-3(10)6(12)8(7)15(16)17/h1H,2H2,(H2,13,14)
InChIKeyBGCYFHPKSRAMJH-UHFFFAOYSA-N
MW267.59 g/mol
LogP2.24
Rot. Bonds3

About 2-chloro-N'-(3,4,6-trifluoro-2-nitrophenyl)ethanimidamide

2-chloro-N'-(3,4,6-trifluoro-2-nitrophenyl)ethanimidamide (PubChem CID 169369176) has the molecular formula C8H5ClF3N3O2 and a molecular weight of 267.59 g/mol. Its IUPAC name is 2-chloro-N'-(3,4,6-trifluoro-2-nitrophenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(3,4,6-trifluoro-2-nitrophenyl)ethanimidamide
PubChem CID169369176
Molecular FormulaC8H5ClF3N3O2
Molecular Weight267.59 g/mol
Exact Mass267.00
IUPAC Name2-chloro-N'-(3,4,6-trifluoro-2-nitrophenyl)ethanimidamide
SMILESN/C(CCl)=N/c1c(F)cc(F)c(F)c1[N+](=O)[O-]
InChIInChI=1S/C8H5ClF3N3O2/c9-2-5(13)14-7-4(11)1-3(10)6(12)8(7)15(16)17/h1H,2H2,(H2,13,14)
InChIKeyBGCYFHPKSRAMJH-UHFFFAOYSA-N
XLogP2.24
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.59
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2-bromo-3,4-difluoro-6-nitrophenyl)-2-chloroethanimidamide
CID 169369118
2-chloro-N'-(4,6-dibromo-2-methyl-3-nitrophenyl)ethanimidamide
CID 169367133
2-[(1-amino-2-chloroethylidene)amino]-6-fluoro-3-nitrobenzoic acid
CID 169369073
2-chloro-N'-(2,4-dibromo-3,6-difluorophenyl)ethanimidamide
CID 169365748
2-chloro-N'-(3-fluoro-5-nitrophenyl)ethanimidamide
CID 169366207
2-chloro-N'-(2,6-difluoro-3-methylphenyl)ethanimidamide
CID 169366726
4-[(1-amino-2-chloroethylidene)amino]-3-bromo-5-nitrobenzamide
CID 169366418
2-[(1-amino-2-chloroethylidene)amino]-3,5-dinitrobenzoic acid
CID 169369450
2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide
CID 169369622
N'-(2-bromo-4-tert-butyl-6-fluorophenyl)-2-chloroethanimidamide
CID 169367535
N'-(2,3,5,6-tetrafluorophenyl)propanimidamide
CID 107646072
N'-(2-bromo-4-nitrophenyl)-2-chloroethanimidamide
CID 169365087

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(3,4,6-trifluoro-2-nitrophenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(3,4,6-trifluoro-2-nitrophenyl)ethanimidamide (CID 169369176) is 2-chloro-N'-(3,4,6-trifluoro-2-nitrophenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(3,4,6-trifluoro-2-nitrophenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(3,4,6-trifluoro-2-nitrophenyl)ethanimidamide is N/C(CCl)=N/c1c(F)cc(F)c(F)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N'-(3,4,6-trifluoro-2-nitrophenyl)ethanimidamide?
The InChIKey is BGCYFHPKSRAMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N3O2/c9-2-5(13)14-7-4(11)1-3(10)6(12)8(7)15(16)17/h1H,2H2,(H2,13,14).
What are the key properties of 2-chloro-N'-(3,4,6-trifluoro-2-nitrophenyl)ethanimidamide?
2-chloro-N'-(3,4,6-trifluoro-2-nitrophenyl)ethanimidamide has a molecular weight of 267.59 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(3,4,6-trifluoro-2-nitrophenyl)ethanimidamide is sourced from PubChem (CID 169369176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).