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

C9H7F2N — CID 141221685

IUPAC5,6-difluoro-1H-inden-2-amine
SMILESNC1=Cc2cc(F)c(F)cc2C1
InChIInChI=1S/C9H7F2N/c10-8-3-5-1-7(12)2-6(5)4-9(8)11/h1,3-4H,2,12H2
InChIKeyMPSFZKPMENBYAG-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.82
Rot. Bonds

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

5,6-difluoro-1H-inden-2-amine (PubChem CID 141221685) has the molecular formula C9H7F2N and a molecular weight of 167.16 g/mol. Its IUPAC name is 5,6-difluoro-1H-inden-2-amine.

Molecular Properties

Compound Name5,6-difluoro-1H-inden-2-amine
PubChem CID141221685
Molecular FormulaC9H7F2N
Molecular Weight167.16 g/mol
Exact Mass167.05
IUPAC Name5,6-difluoro-1H-inden-2-amine
SMILESNC1=Cc2cc(F)c(F)cc2C1
InChIInChI=1S/C9H7F2N/c10-8-3-5-1-7(12)2-6(5)4-9(8)11/h1,3-4H,2,12H2
InChIKeyMPSFZKPMENBYAG-UHFFFAOYSA-N
XLogP1.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1H-inden-2-amine?
The IUPAC name of 5,6-difluoro-1H-inden-2-amine (CID 141221685) is 5,6-difluoro-1H-inden-2-amine.
What is the SMILES notation for 5,6-difluoro-1H-inden-2-amine?
The canonical SMILES for 5,6-difluoro-1H-inden-2-amine is NC1=Cc2cc(F)c(F)cc2C1.
What is the InChIKey of 5,6-difluoro-1H-inden-2-amine?
The InChIKey is MPSFZKPMENBYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N/c10-8-3-5-1-7(12)2-6(5)4-9(8)11/h1,3-4H,2,12H2.
What are the key properties of 5,6-difluoro-1H-inden-2-amine?
5,6-difluoro-1H-inden-2-amine has a molecular weight of 167.16 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1H-inden-2-amine is sourced from PubChem (CID 141221685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).