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

C15H12F3N — CID 79483667

IUPACN-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESFc1cc(F)cc(NC2CCc3c(F)cccc32)c1
InChIInChI=1S/C15H12F3N/c16-9-6-10(17)8-11(7-9)19-15-5-4-12-13(15)2-1-3-14(12)18/h1-3,6-8,15,19H,4-5H2
InChIKeyJIKKZKLBESZMNI-UHFFFAOYSA-N
MW263.26 g/mol
LogP4.20
Rot. Bonds2

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

N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 79483667) has the molecular formula C15H12F3N and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID79483667
Molecular FormulaC15H12F3N
Molecular Weight263.26 g/mol
Exact Mass263.09
IUPAC NameN-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESFc1cc(F)cc(NC2CCc3c(F)cccc32)c1
InChIInChI=1S/C15H12F3N/c16-9-6-10(17)8-11(7-9)19-15-5-4-12-13(15)2-1-3-14(12)18/h1-3,6-8,15,19H,4-5H2
InChIKeyJIKKZKLBESZMNI-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 79483667) is N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine is Fc1cc(F)cc(NC2CCc3c(F)cccc32)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JIKKZKLBESZMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N/c16-9-6-10(17)8-11(7-9)19-15-5-4-12-13(15)2-1-3-14(12)18/h1-3,6-8,15,19H,4-5H2.
What are the key properties of N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine?
N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 263.26 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79483667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).