N-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine

C15H12BrF2N — CID 104776130

IUPACN-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc(NC2CCc3c(F)cccc32)cc1Br
InChIInChI=1S/C15H12BrF2N/c16-12-8-9(4-6-14(12)18)19-15-7-5-10-11(15)2-1-3-13(10)17/h1-4,6,8,15,19H,5,7H2
InChIKeyDICZNAUPOJQSQH-UHFFFAOYSA-N
MW324.17 g/mol
LogP4.83
Rot. Bonds2

About N-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine

N-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 104776130) has the molecular formula C15H12BrF2N and a molecular weight of 324.17 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID104776130
Molecular FormulaC15H12BrF2N
Molecular Weight324.17 g/mol
Exact Mass323.01
IUPAC NameN-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc(NC2CCc3c(F)cccc32)cc1Br
InChIInChI=1S/C15H12BrF2N/c16-12-8-9(4-6-14(12)18)19-15-7-5-10-11(15)2-1-3-13(10)17/h1-4,6,8,15,19H,5,7H2
InChIKeyDICZNAUPOJQSQH-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 104776130) is N-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine is Fc1ccc(NC2CCc3c(F)cccc32)cc1Br.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DICZNAUPOJQSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2N/c16-12-8-9(4-6-14(12)18)19-15-7-5-10-11(15)2-1-3-13(10)17/h1-4,6,8,15,19H,5,7H2.
What are the key properties of N-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
N-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 324.17 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 104776130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).