5-chloro-N-(2,2,3,3-tetrafluoropropyl)-2,3-dihydro-1H-inden-2-amine

C12H12ClF4N — CID 103529271

IUPAC5-chloro-N-(2,2,3,3-tetrafluoropropyl)-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)C(F)(F)CNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C12H12ClF4N/c13-9-2-1-7-4-10(5-8(7)3-9)18-6-12(16,17)11(14)15/h1-3,10-11,18H,4-6H2
InChIKeySDJONHSVTVLAPK-UHFFFAOYSA-N
MW281.68 g/mol
LogP3.30
Rot. Bonds4

About 5-chloro-N-(2,2,3,3-tetrafluoropropyl)-2,3-dihydro-1H-inden-2-amine

5-chloro-N-(2,2,3,3-tetrafluoropropyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 103529271) has the molecular formula C12H12ClF4N and a molecular weight of 281.68 g/mol. Its IUPAC name is 5-chloro-N-(2,2,3,3-tetrafluoropropyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2,2,3,3-tetrafluoropropyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID103529271
Molecular FormulaC12H12ClF4N
Molecular Weight281.68 g/mol
Exact Mass281.06
IUPAC Name5-chloro-N-(2,2,3,3-tetrafluoropropyl)-2,3-dihydro-1H-inden-2-amine
SMILESFC(F)C(F)(F)CNC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C12H12ClF4N/c13-9-2-1-7-4-10(5-8(7)3-9)18-6-12(16,17)11(14)15/h1-3,10-11,18H,4-6H2
InChIKeySDJONHSVTVLAPK-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.68
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2,3,3-tetrafluoropropyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-(2,2,3,3-tetrafluoropropyl)-2,3-dihydro-1H-inden-2-amine (CID 103529271) is 5-chloro-N-(2,2,3,3-tetrafluoropropyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-(2,2,3,3-tetrafluoropropyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-(2,2,3,3-tetrafluoropropyl)-2,3-dihydro-1H-inden-2-amine is FC(F)C(F)(F)CNC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-N-(2,2,3,3-tetrafluoropropyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is SDJONHSVTVLAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF4N/c13-9-2-1-7-4-10(5-8(7)3-9)18-6-12(16,17)11(14)15/h1-3,10-11,18H,4-6H2.
What are the key properties of 5-chloro-N-(2,2,3,3-tetrafluoropropyl)-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-(2,2,3,3-tetrafluoropropyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 281.68 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2,3,3-tetrafluoropropyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 103529271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).