8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine

C10H11ClFNO — CID 60970601

IUPAC8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2c(Cl)cc(F)cc21
InChIInChI=1S/C10H11ClFNO/c1-13-9-2-3-14-10-7(9)4-6(12)5-8(10)11/h4-5,9,13H,2-3H2,1H3
InChIKeyDBDJBEMXEKLFFD-UHFFFAOYSA-N
MW215.65 g/mol
LogP2.52
Rot. Bonds1

About 8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine

8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 60970601) has the molecular formula C10H11ClFNO and a molecular weight of 215.65 g/mol. Its IUPAC name is 8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID60970601
Molecular FormulaC10H11ClFNO
Molecular Weight215.65 g/mol
Exact Mass215.05
IUPAC Name8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2c(Cl)cc(F)cc21
InChIInChI=1S/C10H11ClFNO/c1-13-9-2-3-14-10-7(9)4-6(12)5-8(10)11/h4-5,9,13H,2-3H2,1H3
InChIKeyDBDJBEMXEKLFFD-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.65
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 60970601) is 8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CCOc2c(Cl)cc(F)cc21.
What is the InChIKey of 8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DBDJBEMXEKLFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-13-9-2-3-14-10-7(9)4-6(12)5-8(10)11/h4-5,9,13H,2-3H2,1H3.
What are the key properties of 8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 215.65 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 60970601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).