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

C11H13BrF3N3O — CID 107480239

IUPAC2-bromo-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1N(CCO)CC(F)(F)F
InChIInChI=1S/C11H13BrF3N3O/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)
InChIKeyVWFVHKUMIPMYOB-UHFFFAOYSA-N
MW340.14 g/mol
LogP2.09
Rot. Bonds5

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

2-bromo-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide (PubChem CID 107480239) has the molecular formula C11H13BrF3N3O and a molecular weight of 340.14 g/mol. Its IUPAC name is 2-bromo-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
PubChem CID107480239
Molecular FormulaC11H13BrF3N3O
Molecular Weight340.14 g/mol
Exact Mass339.02
IUPAC Name2-bromo-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1N(CCO)CC(F)(F)F
InChIInChI=1S/C11H13BrF3N3O/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)
InChIKeyVWFVHKUMIPMYOB-UHFFFAOYSA-N
XLogP2.09
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 52.09
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-[propyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 114883728
2-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 107480225
2-[benzyl(2-hydroxyethyl)amino]-6-bromobenzenecarboximidamide
CID 114883755
2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 79519200
2-chloro-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 107480241
2-[benzyl(ethyl)amino]-6-bromobenzenecarboximidamide
CID 114883608
2-chloro-6-[2-hydroxyethyl(propyl)amino]benzenecarboximidamide
CID 62496817
2-amino-6-bromobenzenecarboximidamide
CID 114883758
2-bromo-6-(N-butylanilino)benzenecarboximidamide
CID 114883833
2-bromo-6-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 114884059
2-bromo-6-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708988
2-bromo-6-[methyl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 114888085

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide?
The IUPAC name of 2-bromo-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide (CID 107480239) is 2-bromo-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide?
The canonical SMILES for 2-bromo-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1c(Br)cccc1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-bromo-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide?
The InChIKey is VWFVHKUMIPMYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N3O/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-bromo-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide?
2-bromo-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide has a molecular weight of 340.14 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 107480239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).