3-bromo-4-(3,3,3-trifluoropropoxy)benzenecarboximidamide

C10H10BrF3N2O — CID 82955098

IUPAC3-bromo-4-(3,3,3-trifluoropropoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCC(F)(F)F)c(Br)c1
InChIInChI=1S/C10H10BrF3N2O/c11-7-5-6(9(15)16)1-2-8(7)17-4-3-10(12,13)14/h1-2,5H,3-4H2,(H3,15,16)
InChIKeyRXQPFWZQPDKCEB-UHFFFAOYSA-N
MW311.10 g/mol
LogP3.06
Rot. Bonds4

About 3-bromo-4-(3,3,3-trifluoropropoxy)benzenecarboximidamide

3-bromo-4-(3,3,3-trifluoropropoxy)benzenecarboximidamide (PubChem CID 82955098) has the molecular formula C10H10BrF3N2O and a molecular weight of 311.10 g/mol. Its IUPAC name is 3-bromo-4-(3,3,3-trifluoropropoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-(3,3,3-trifluoropropoxy)benzenecarboximidamide
PubChem CID82955098
Molecular FormulaC10H10BrF3N2O
Molecular Weight311.10 g/mol
Exact Mass309.99
IUPAC Name3-bromo-4-(3,3,3-trifluoropropoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCC(F)(F)F)c(Br)c1
InChIInChI=1S/C10H10BrF3N2O/c11-7-5-6(9(15)16)1-2-8(7)17-4-3-10(12,13)14/h1-2,5H,3-4H2,(H3,15,16)
InChIKeyRXQPFWZQPDKCEB-UHFFFAOYSA-N
XLogP3.06
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.10
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-4-(3,3,3-trifluoropropoxy)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 82798606
3-bromo-4-(3,3,3-trifluoropropoxy)benzoic acid
CID 62034237
3-bromo-4-[3-(2-bromo-4-ethanimidoylphenoxy)propoxy]benzenecarboximidamide
CID 149249864
3-bromo-4-(4-methylpentoxy)benzenecarboximidamide
CID 82799328
3-bromo-4-[2-(3-methoxypropoxy)ethoxy]benzenecarboximidamide
CID 103177914
3-bromo-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide
CID 82799228
3-bromo-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 82799225
3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033943
2-fluoro-6-(3,3,3-trifluoropropoxy)benzenecarboximidamide
CID 64566908
3-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 115514127
3-bromo-4-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 82799234
4-(2-ethoxyethoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468119

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3,3,3-trifluoropropoxy)benzenecarboximidamide?
The IUPAC name of 3-bromo-4-(3,3,3-trifluoropropoxy)benzenecarboximidamide (CID 82955098) is 3-bromo-4-(3,3,3-trifluoropropoxy)benzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-(3,3,3-trifluoropropoxy)benzenecarboximidamide?
The canonical SMILES for 3-bromo-4-(3,3,3-trifluoropropoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCC(F)(F)F)c(Br)c1.
What is the InChIKey of 3-bromo-4-(3,3,3-trifluoropropoxy)benzenecarboximidamide?
The InChIKey is RXQPFWZQPDKCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O/c11-7-5-6(9(15)16)1-2-8(7)17-4-3-10(12,13)14/h1-2,5H,3-4H2,(H3,15,16).
What are the key properties of 3-bromo-4-(3,3,3-trifluoropropoxy)benzenecarboximidamide?
3-bromo-4-(3,3,3-trifluoropropoxy)benzenecarboximidamide has a molecular weight of 311.10 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3,3,3-trifluoropropoxy)benzenecarboximidamide is sourced from PubChem (CID 82955098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).