1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine

C15H12Cl2FN — CID 116531885

IUPAC1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine
SMILESNC1(c2ccc(Cl)c(Cl)c2)CCc2cc(F)ccc21
InChIInChI=1S/C15H12Cl2FN/c16-13-4-1-10(8-14(13)17)15(19)6-5-9-7-11(18)2-3-12(9)15/h1-4,7-8H,5-6,19H2
InChIKeyUTBCKTBIFOYSCB-UHFFFAOYSA-N
MW296.17 g/mol
LogP4.28
Rot. Bonds1

About 1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine

1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine (PubChem CID 116531885) has the molecular formula C15H12Cl2FN and a molecular weight of 296.17 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine
PubChem CID116531885
Molecular FormulaC15H12Cl2FN
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine
SMILESNC1(c2ccc(Cl)c(Cl)c2)CCc2cc(F)ccc21
InChIInChI=1S/C15H12Cl2FN/c16-13-4-1-10(8-14(13)17)15(19)6-5-9-7-11(18)2-3-12(9)15/h1-4,7-8H,5-6,19H2
InChIKeyUTBCKTBIFOYSCB-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine (CID 116531885) is 1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine is NC1(c2ccc(Cl)c(Cl)c2)CCc2cc(F)ccc21.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine?
The InChIKey is UTBCKTBIFOYSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FN/c16-13-4-1-10(8-14(13)17)15(19)6-5-9-7-11(18)2-3-12(9)15/h1-4,7-8H,5-6,19H2.
What are the key properties of 1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine?
1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine has a molecular weight of 296.17 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-5-fluoro-2,3-dihydroinden-1-amine is sourced from PubChem (CID 116531885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).