4,4-difluoro-6-methoxy-2,3-dihydrochromen-3-amine

C10H11F2NO2 — CID 83231351

IUPAC4,4-difluoro-6-methoxy-2,3-dihydrochromen-3-amine
SMILESCOc1ccc2c(c1)C(F)(F)C(N)CO2
InChIInChI=1S/C10H11F2NO2/c1-14-6-2-3-8-7(4-6)10(11,12)9(13)5-15-8/h2-4,9H,5,13H2,1H3
InChIKeyCHWUOTKJIQCXNV-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.51
Rot. Bonds1

About 4,4-difluoro-6-methoxy-2,3-dihydrochromen-3-amine

4,4-difluoro-6-methoxy-2,3-dihydrochromen-3-amine (PubChem CID 83231351) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is 4,4-difluoro-6-methoxy-2,3-dihydrochromen-3-amine.

Molecular Properties

Compound Name4,4-difluoro-6-methoxy-2,3-dihydrochromen-3-amine
PubChem CID83231351
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name4,4-difluoro-6-methoxy-2,3-dihydrochromen-3-amine
SMILESCOc1ccc2c(c1)C(F)(F)C(N)CO2
InChIInChI=1S/C10H11F2NO2/c1-14-6-2-3-8-7(4-6)10(11,12)9(13)5-15-8/h2-4,9H,5,13H2,1H3
InChIKeyCHWUOTKJIQCXNV-UHFFFAOYSA-N
XLogP1.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-6-methoxy-2,3-dihydrochromen-3-amine?
The IUPAC name of 4,4-difluoro-6-methoxy-2,3-dihydrochromen-3-amine (CID 83231351) is 4,4-difluoro-6-methoxy-2,3-dihydrochromen-3-amine.
What is the SMILES notation for 4,4-difluoro-6-methoxy-2,3-dihydrochromen-3-amine?
The canonical SMILES for 4,4-difluoro-6-methoxy-2,3-dihydrochromen-3-amine is COc1ccc2c(c1)C(F)(F)C(N)CO2.
What is the InChIKey of 4,4-difluoro-6-methoxy-2,3-dihydrochromen-3-amine?
The InChIKey is CHWUOTKJIQCXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-14-6-2-3-8-7(4-6)10(11,12)9(13)5-15-8/h2-4,9H,5,13H2,1H3.
What are the key properties of 4,4-difluoro-6-methoxy-2,3-dihydrochromen-3-amine?
4,4-difluoro-6-methoxy-2,3-dihydrochromen-3-amine has a molecular weight of 215.20 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-6-methoxy-2,3-dihydrochromen-3-amine is sourced from PubChem (CID 83231351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).