2-chloro-4,5-difluorobenzenecarboximidamide;ethane

C9H11ClF2N2 — CID 145225974

IUPAC2-chloro-4,5-difluorobenzenecarboximidamide;ethane
SMILESCC.[H]/N=C(\N)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C7H5ClF2N2.C2H6/c8-4-2-6(10)5(9)1-3(4)7(11)12;1-2/h1-2H,(H3,11,12);1-2H3
InChIKeyFESRQVXOAMARSP-UHFFFAOYSA-N
MW220.65 g/mol
LogP2.93
Rot. Bonds1

About 2-chloro-4,5-difluorobenzenecarboximidamide;ethane

2-chloro-4,5-difluorobenzenecarboximidamide;ethane (PubChem CID 145225974) has the molecular formula C9H11ClF2N2 and a molecular weight of 220.65 g/mol. Its IUPAC name is 2-chloro-4,5-difluorobenzenecarboximidamide;ethane.

Molecular Properties

Compound Name2-chloro-4,5-difluorobenzenecarboximidamide;ethane
PubChem CID145225974
Molecular FormulaC9H11ClF2N2
Molecular Weight220.65 g/mol
Exact Mass220.06
IUPAC Name2-chloro-4,5-difluorobenzenecarboximidamide;ethane
SMILESCC.[H]/N=C(\N)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C7H5ClF2N2.C2H6/c8-4-2-6(10)5(9)1-3(4)7(11)12;1-2/h1-2H,(H3,11,12);1-2H3
InChIKeyFESRQVXOAMARSP-UHFFFAOYSA-N
XLogP2.93
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.65
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trifluorobenzenecarboximidamide;hydrochloride
CID 53407269
2-chloro-4-fluorobenzenecarboximidamide
CID 3626359
2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride
CID 174920127
4-chloro-2,3-difluorobenzenecarboximidamide
CID 174975357
4-(4-bromo-3-fluorophenoxy)-2-chlorobenzenecarboximidamide
CID 65203810
4-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide
CID 55180228
4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide
CID 55152073
2-chloro-4-(propan-2-ylamino)benzenecarboximidamide
CID 62946876
4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 55257647
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide
CID 107930831
3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide
CID 107060553

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluorobenzenecarboximidamide;ethane?
The IUPAC name of 2-chloro-4,5-difluorobenzenecarboximidamide;ethane (CID 145225974) is 2-chloro-4,5-difluorobenzenecarboximidamide;ethane.
What is the SMILES notation for 2-chloro-4,5-difluorobenzenecarboximidamide;ethane?
The canonical SMILES for 2-chloro-4,5-difluorobenzenecarboximidamide;ethane is CC.[H]/N=C(\N)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluorobenzenecarboximidamide;ethane?
The InChIKey is FESRQVXOAMARSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2.C2H6/c8-4-2-6(10)5(9)1-3(4)7(11)12;1-2/h1-2H,(H3,11,12);1-2H3.
What are the key properties of 2-chloro-4,5-difluorobenzenecarboximidamide;ethane?
2-chloro-4,5-difluorobenzenecarboximidamide;ethane has a molecular weight of 220.65 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluorobenzenecarboximidamide;ethane is sourced from PubChem (CID 145225974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).