5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-amine

C9H9ClFN — CID 22757700

IUPAC5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-amine
SMILESNC1Cc2ccc(Cl)c(F)c2C1
InChIInChI=1S/C9H9ClFN/c10-8-2-1-5-3-6(12)4-7(5)9(8)11/h1-2,6H,3-4,12H2
InChIKeyVFDYTACTZKDPJZ-UHFFFAOYSA-N
MW185.63 g/mol
LogP1.90
Rot. Bonds

About 5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-amine

5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-amine (PubChem CID 22757700) has the molecular formula C9H9ClFN and a molecular weight of 185.63 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-amine
PubChem CID22757700
Molecular FormulaC9H9ClFN
Molecular Weight185.63 g/mol
Exact Mass185.04
IUPAC Name5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-amine
SMILESNC1Cc2ccc(Cl)c(F)c2C1
InChIInChI=1S/C9H9ClFN/c10-8-2-1-5-3-6(12)4-7(5)9(8)11/h1-2,6H,3-4,12H2
InChIKeyVFDYTACTZKDPJZ-UHFFFAOYSA-N
XLogP1.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.63
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-amine (CID 22757700) is 5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-amine is NC1Cc2ccc(Cl)c(F)c2C1.
What is the InChIKey of 5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-amine?
The InChIKey is VFDYTACTZKDPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN/c10-8-2-1-5-3-6(12)4-7(5)9(8)11/h1-2,6H,3-4,12H2.
What are the key properties of 5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-amine?
5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-amine has a molecular weight of 185.63 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 22757700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).