2-chloro-N'-(3-fluorophenyl)ethanimidamide

C8H8ClFN2 — CID 169368865

IUPAC2-chloro-N'-(3-fluorophenyl)ethanimidamide
SMILESN/C(CCl)=N/c1cccc(F)c1
InChIInChI=1S/C8H8ClFN2/c9-5-8(11)12-7-3-1-2-6(10)4-7/h1-4H,5H2,(H2,11,12)
InChIKeyHYKYIDSCJFRHSC-UHFFFAOYSA-N
MW186.62 g/mol
LogP2.05
Rot. Bonds2

About 2-chloro-N'-(3-fluorophenyl)ethanimidamide

2-chloro-N'-(3-fluorophenyl)ethanimidamide (PubChem CID 169368865) has the molecular formula C8H8ClFN2 and a molecular weight of 186.62 g/mol. Its IUPAC name is 2-chloro-N'-(3-fluorophenyl)ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-(3-fluorophenyl)ethanimidamide
PubChem CID169368865
Molecular FormulaC8H8ClFN2
Molecular Weight186.62 g/mol
Exact Mass186.04
IUPAC Name2-chloro-N'-(3-fluorophenyl)ethanimidamide
SMILESN/C(CCl)=N/c1cccc(F)c1
InChIInChI=1S/C8H8ClFN2/c9-5-8(11)12-7-3-1-2-6(10)4-7/h1-4H,5H2,(H2,11,12)
InChIKeyHYKYIDSCJFRHSC-UHFFFAOYSA-N
XLogP2.05
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-fluorophenyl)-3-methylbutanimidamide
CID 121219593
2-chloro-N'-(3-pyridin-4-ylphenyl)ethanimidamide
CID 169367803
2-chloro-N'-[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]ethanimidamide
CID 169366543
2-chloro-N'-(3-propan-2-ylphenyl)ethanimidamide
CID 169369579
2-chloro-N'-(3-cyanophenyl)ethanimidamide
CID 151835289
2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide
CID 169369617
2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide
CID 169364929
4-[3-[(1-amino-2-chloroethylidene)amino]phenyl]benzoic acid
CID 169367020
2-chloro-N'-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]ethanimidamide
CID 169367664
2-chloro-N'-[3-(2-methoxyphenyl)phenyl]ethanimidamide
CID 169366388
2-chloro-N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanimidamide
CID 169367404
2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide
CID 169367099

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(3-fluorophenyl)ethanimidamide?
The IUPAC name of 2-chloro-N'-(3-fluorophenyl)ethanimidamide (CID 169368865) is 2-chloro-N'-(3-fluorophenyl)ethanimidamide.
What is the SMILES notation for 2-chloro-N'-(3-fluorophenyl)ethanimidamide?
The canonical SMILES for 2-chloro-N'-(3-fluorophenyl)ethanimidamide is N/C(CCl)=N/c1cccc(F)c1.
What is the InChIKey of 2-chloro-N'-(3-fluorophenyl)ethanimidamide?
The InChIKey is HYKYIDSCJFRHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2/c9-5-8(11)12-7-3-1-2-6(10)4-7/h1-4H,5H2,(H2,11,12).
What are the key properties of 2-chloro-N'-(3-fluorophenyl)ethanimidamide?
2-chloro-N'-(3-fluorophenyl)ethanimidamide has a molecular weight of 186.62 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(3-fluorophenyl)ethanimidamide is sourced from PubChem (CID 169368865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).