5,6-difluoro-2,3-dihydro-1H-inden-2-amine

C9H9F2N — CID 19699366

IUPAC5,6-difluoro-2,3-dihydro-1H-inden-2-amine
SMILESNC1Cc2cc(F)c(F)cc2C1
InChIInChI=1S/C9H9F2N/c10-8-3-5-1-7(12)2-6(5)4-9(8)11/h3-4,7H,1-2,12H2
InChIKeyQOCUGSJAOYAVQE-UHFFFAOYSA-N
MW169.17 g/mol
LogP1.39
Rot. Bonds

About 5,6-difluoro-2,3-dihydro-1H-inden-2-amine

5,6-difluoro-2,3-dihydro-1H-inden-2-amine (PubChem CID 19699366) has the molecular formula C9H9F2N and a molecular weight of 169.17 g/mol. Its IUPAC name is 5,6-difluoro-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5,6-difluoro-2,3-dihydro-1H-inden-2-amine
PubChem CID19699366
Molecular FormulaC9H9F2N
Molecular Weight169.17 g/mol
Exact Mass169.07
IUPAC Name5,6-difluoro-2,3-dihydro-1H-inden-2-amine
SMILESNC1Cc2cc(F)c(F)cc2C1
InChIInChI=1S/C9H9F2N/c10-8-3-5-1-7(12)2-6(5)4-9(8)11/h3-4,7H,1-2,12H2
InChIKeyQOCUGSJAOYAVQE-UHFFFAOYSA-N
XLogP1.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Aminoindane
CID 76310
(+-)-p-Fluoroamphetamine
CID 9986
2-Aminoindan hydrochloride
CID 122764
2-Fluoroamphetamine
CID 121531
2-(Trifluoromethyl)phenethylamine
CID 69883
N-Methylindan-2-amine
CID 15023225
5-Adpi
CID 192600
3-Fluoroamphetamine
CID 121501
(R)-(-)-1-Aminoindan
CID 2733933
1-Aminoindane, (S)-
CID 7000084
(+-)-1-Aminoindan
CID 123445
Ortetamine
CID 115808

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5,6-difluoro-2,3-dihydro-1H-inden-2-amine (CID 19699366) is 5,6-difluoro-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5,6-difluoro-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5,6-difluoro-2,3-dihydro-1H-inden-2-amine is NC1Cc2cc(F)c(F)cc2C1.
What is the InChIKey of 5,6-difluoro-2,3-dihydro-1H-inden-2-amine?
The InChIKey is QOCUGSJAOYAVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N/c10-8-3-5-1-7(12)2-6(5)4-9(8)11/h3-4,7H,1-2,12H2.
What are the key properties of 5,6-difluoro-2,3-dihydro-1H-inden-2-amine?
5,6-difluoro-2,3-dihydro-1H-inden-2-amine has a molecular weight of 169.17 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 19699366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).