5-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine

C9H9ClFN — CID 91618865

IUPAC5-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2cc(Cl)cc(F)c21
InChIInChI=1S/C9H9ClFN/c10-6-3-5-1-2-8(12)9(5)7(11)4-6/h3-4,8H,1-2,12H2
InChIKeyRXPQLNKIYBMWKT-UHFFFAOYSA-N
MW185.63 g/mol
LogP2.43
Rot. Bonds

About 5-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine

5-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 91618865) has the molecular formula C9H9ClFN and a molecular weight of 185.63 g/mol. Its IUPAC name is 5-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID91618865
Molecular FormulaC9H9ClFN
Molecular Weight185.63 g/mol
Exact Mass185.04
IUPAC Name5-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2cc(Cl)cc(F)c21
InChIInChI=1S/C9H9ClFN/c10-6-3-5-1-2-8(12)9(5)7(11)4-6/h3-4,8H,1-2,12H2
InChIKeyRXPQLNKIYBMWKT-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine (CID 91618865) is 5-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine is NC1CCc2cc(Cl)cc(F)c21.
What is the InChIKey of 5-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RXPQLNKIYBMWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN/c10-6-3-5-1-2-8(12)9(5)7(11)4-6/h3-4,8H,1-2,12H2.
What are the key properties of 5-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine?
5-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 185.63 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 91618865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).