N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine

C15H12ClF2N — CID 107527044

IUPACN-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc(Cl)c(NC2CCc3c(F)cccc32)c1
InChIInChI=1S/C15H12ClF2N/c16-12-6-4-9(17)8-15(12)19-14-7-5-10-11(14)2-1-3-13(10)18/h1-4,6,8,14,19H,5,7H2
InChIKeyXYBZFHGBQSQHPC-UHFFFAOYSA-N
MW279.72 g/mol
LogP4.72
Rot. Bonds2

About N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine

N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 107527044) has the molecular formula C15H12ClF2N and a molecular weight of 279.72 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID107527044
Molecular FormulaC15H12ClF2N
Molecular Weight279.72 g/mol
Exact Mass279.06
IUPAC NameN-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc(Cl)c(NC2CCc3c(F)cccc32)c1
InChIInChI=1S/C15H12ClF2N/c16-12-6-4-9(17)8-15(12)19-14-7-5-10-11(14)2-1-3-13(10)18/h1-4,6,8,14,19H,5,7H2
InChIKeyXYBZFHGBQSQHPC-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 107527044) is N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine is Fc1ccc(Cl)c(NC2CCc3c(F)cccc32)c1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XYBZFHGBQSQHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N/c16-12-6-4-9(17)8-15(12)19-14-7-5-10-11(14)2-1-3-13(10)18/h1-4,6,8,14,19H,5,7H2.
What are the key properties of N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 279.72 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107527044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).