6-(2,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine

C15H13F2N — CID 114265478

IUPAC6-(2,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2ccc(-c3c(F)cccc3F)cc21
InChIInChI=1S/C15H13F2N/c16-12-2-1-3-13(17)15(12)10-5-4-9-6-7-14(18)11(9)8-10/h1-5,8,14H,6-7,18H2
InChIKeyXOXIHTQCQMBVQX-UHFFFAOYSA-N
MW245.27 g/mol
LogP3.58
Rot. Bonds1

About 6-(2,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine

6-(2,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 114265478) has the molecular formula C15H13F2N and a molecular weight of 245.27 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID114265478
Molecular FormulaC15H13F2N
Molecular Weight245.27 g/mol
Exact Mass245.10
IUPAC Name6-(2,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2ccc(-c3c(F)cccc3F)cc21
InChIInChI=1S/C15H13F2N/c16-12-2-1-3-13(17)15(12)10-5-4-9-6-7-14(18)11(9)8-10/h1-5,8,14H,6-7,18H2
InChIKeyXOXIHTQCQMBVQX-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-(2,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine (CID 114265478) is 6-(2,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-(2,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-(2,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine is NC1CCc2ccc(-c3c(F)cccc3F)cc21.
What is the InChIKey of 6-(2,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XOXIHTQCQMBVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N/c16-12-2-1-3-13(17)15(12)10-5-4-9-6-7-14(18)11(9)8-10/h1-5,8,14H,6-7,18H2.
What are the key properties of 6-(2,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine?
6-(2,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 245.27 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 114265478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).