6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine

C10H11F2NO — CID 130952274

IUPAC6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2cc(F)c(F)cc21
InChIInChI=1S/C10H11F2NO/c1-13-9-2-3-14-10-5-8(12)7(11)4-6(9)10/h4-5,9,13H,2-3H2,1H3
InChIKeyPUKCNHGKZYEGKB-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.01
Rot. Bonds1

About 6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine

6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 130952274) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID130952274
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2cc(F)c(F)cc21
InChIInChI=1S/C10H11F2NO/c1-13-9-2-3-14-10-5-8(12)7(11)4-6(9)10/h4-5,9,13H,2-3H2,1H3
InChIKeyPUKCNHGKZYEGKB-UHFFFAOYSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 130952274) is 6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CCOc2cc(F)c(F)cc21.
What is the InChIKey of 6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is PUKCNHGKZYEGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-13-9-2-3-14-10-5-8(12)7(11)4-6(9)10/h4-5,9,13H,2-3H2,1H3.
What are the key properties of 6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 199.20 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 130952274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).