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

C11H13ClFN — CID 114488512

IUPAC5-chloro-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccc(Cl)c(F)c2CC1C
InChIInChI=1S/C11H13ClFN/c1-6-5-8-7(11(6)14-2)3-4-9(12)10(8)13/h3-4,6,11,14H,5H2,1-2H3
InChIKeyRYAKQDVGUCPYPO-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.93
Rot. Bonds1

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

5-chloro-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 114488512) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 5-chloro-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-chloro-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine
PubChem CID114488512
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name5-chloro-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccc(Cl)c(F)c2CC1C
InChIInChI=1S/C11H13ClFN/c1-6-5-8-7(11(6)14-2)3-4-9(12)10(8)13/h3-4,6,11,14H,5H2,1-2H3
InChIKeyRYAKQDVGUCPYPO-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.93
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-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-chloro-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine (CID 114488512) is 5-chloro-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-chloro-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-chloro-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine is CNC1c2ccc(Cl)c(F)c2CC1C.
What is the InChIKey of 5-chloro-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RYAKQDVGUCPYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-6-5-8-7(11(6)14-2)3-4-9(12)10(8)13/h3-4,6,11,14H,5H2,1-2H3.
What are the key properties of 5-chloro-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine?
5-chloro-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 213.68 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-N,2-dimethyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 114488512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).