2,4,5-trifluorobenzenecarboximidamide;hydrochloride

C7H6ClF3N2 — CID 53407269

IUPAC2,4,5-trifluorobenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc(F)c(F)cc1F
InChIInChI=1S/C7H5F3N2.ClH/c8-4-2-6(10)5(9)1-3(4)7(11)12;/h1-2H,(H3,11,12);1H
InChIKeyIQLSDTAQNDYPDY-UHFFFAOYSA-N
MW210.59 g/mol
LogP1.81
Rot. Bonds1

About 2,4,5-trifluorobenzenecarboximidamide;hydrochloride

2,4,5-trifluorobenzenecarboximidamide;hydrochloride (PubChem CID 53407269) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is 2,4,5-trifluorobenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2,4,5-trifluorobenzenecarboximidamide;hydrochloride
PubChem CID53407269
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name2,4,5-trifluorobenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc(F)c(F)cc1F
InChIInChI=1S/C7H5F3N2.ClH/c8-4-2-6(10)5(9)1-3(4)7(11)12;/h1-2H,(H3,11,12);1H
InChIKeyIQLSDTAQNDYPDY-UHFFFAOYSA-N
XLogP1.81
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.59
LogP ≤ 51.81
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-chloro-4,5-difluorobenzenecarboximidamide;ethane
CID 145225974
2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride
CID 174920127
5-amino-2,3,4-trifluorobenzenecarboximidamide
CID 83382918
2-imino-2-(2,4,5-trifluorophenyl)acetic acid
CID 175792577
2-amino-4-fluorobenzenecarboximidamide
CID 140514748
2-fluoro-4-(1-methylsulfanylethyl)benzenecarboximidamide
CID 174363276
2-chloro-4-fluorobenzenecarboximidamide
CID 3626359
4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide
CID 171526804
4-(3,4-difluorophenyl)benzenecarboximidamide
CID 15114042
5-[5-(4-carbamimidoyl-3-fluorophenyl)thiophen-2-yl]thiophene-2-carboximidamide
CID 163360794
4-chloro-2-(3,4-difluorophenyl)sulfanylbenzenecarboximidamide
CID 55180228
2-amino-4-(3-fluoro-4-hydroxyphenyl)benzenecarboximidamide
CID 143262003

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluorobenzenecarboximidamide;hydrochloride?
The IUPAC name of 2,4,5-trifluorobenzenecarboximidamide;hydrochloride (CID 53407269) is 2,4,5-trifluorobenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2,4,5-trifluorobenzenecarboximidamide;hydrochloride?
The canonical SMILES for 2,4,5-trifluorobenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cc(F)c(F)cc1F.
What is the InChIKey of 2,4,5-trifluorobenzenecarboximidamide;hydrochloride?
The InChIKey is IQLSDTAQNDYPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2.ClH/c8-4-2-6(10)5(9)1-3(4)7(11)12;/h1-2H,(H3,11,12);1H.
What are the key properties of 2,4,5-trifluorobenzenecarboximidamide;hydrochloride?
2,4,5-trifluorobenzenecarboximidamide;hydrochloride has a molecular weight of 210.59 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluorobenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 53407269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).