2-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide

C11H13ClF3N3O — CID 107480225

IUPAC2-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(CCO)CC(F)(F)F
InChIInChI=1S/C11H13ClF3N3O/c12-7-2-1-3-8(9(7)10(16)17)18(4-5-19)6-11(13,14)15/h1-3,19H,4-6H2,(H3,16,17)
InChIKeyQLCVUWPSFHXSCX-UHFFFAOYSA-N
MW295.69 g/mol
LogP1.99
Rot. Bonds5

About 2-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide

2-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide (PubChem CID 107480225) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is 2-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
PubChem CID107480225
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name2-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1N(CCO)CC(F)(F)F
InChIInChI=1S/C11H13ClF3N3O/c12-7-2-1-3-8(9(7)10(16)17)18(4-5-19)6-11(13,14)15/h1-3,19H,4-6H2,(H3,16,17)
InChIKeyQLCVUWPSFHXSCX-UHFFFAOYSA-N
XLogP1.99
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 107480239
2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide
CID 62496817
2-chloro-6-(diethylamino)benzenecarboximidamide
CID 62502596
2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 79519200
2-bromo-6-[propyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 114883728
2-chloro-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 107480241
2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
CID 79387650
2-chloro-6-[2,2-dimethylpropyl(methyl)amino]benzenecarboximidamide
CID 55079559
2-chloro-6-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200184
2-[benzyl(2-hydroxyethyl)amino]-6-bromobenzenecarboximidamide
CID 114883755
2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552204
2-chloro-6-[2-methoxyethyl(methyl)amino]benzenecarboximidamide
CID 62497153

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide?
The IUPAC name of 2-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide (CID 107480225) is 2-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide?
The InChIKey is QLCVUWPSFHXSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c12-7-2-1-3-8(9(7)10(16)17)18(4-5-19)6-11(13,14)15/h1-3,19H,4-6H2,(H3,16,17).
What are the key properties of 2-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide?
2-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide has a molecular weight of 295.69 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 107480225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).