6,8-difluoro-2-methyl-2,3-dihydrochromen-4-one

C10H8F2O2 — CID 43536412

IUPAC6,8-difluoro-2-methyl-2,3-dihydrochromen-4-one
SMILESCC1CC(=O)c2cc(F)cc(F)c2O1
InChIInChI=1S/C10H8F2O2/c1-5-2-9(13)7-3-6(11)4-8(12)10(7)14-5/h3-5H,2H2,1H3
InChIKeyYIVPHWKWMLMQTM-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.32
Rot. Bonds

About 6,8-difluoro-2-methyl-2,3-dihydrochromen-4-one

6,8-difluoro-2-methyl-2,3-dihydrochromen-4-one (PubChem CID 43536412) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is 6,8-difluoro-2-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6,8-difluoro-2-methyl-2,3-dihydrochromen-4-one
PubChem CID43536412
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name6,8-difluoro-2-methyl-2,3-dihydrochromen-4-one
SMILESCC1CC(=O)c2cc(F)cc(F)c2O1
InChIInChI=1S/C10H8F2O2/c1-5-2-9(13)7-3-6(11)4-8(12)10(7)14-5/h3-5H,2H2,1H3
InChIKeyYIVPHWKWMLMQTM-UHFFFAOYSA-N
XLogP2.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-2-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 6,8-difluoro-2-methyl-2,3-dihydrochromen-4-one (CID 43536412) is 6,8-difluoro-2-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6,8-difluoro-2-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6,8-difluoro-2-methyl-2,3-dihydrochromen-4-one is CC1CC(=O)c2cc(F)cc(F)c2O1.
What is the InChIKey of 6,8-difluoro-2-methyl-2,3-dihydrochromen-4-one?
The InChIKey is YIVPHWKWMLMQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O2/c1-5-2-9(13)7-3-6(11)4-8(12)10(7)14-5/h3-5H,2H2,1H3.
What are the key properties of 6,8-difluoro-2-methyl-2,3-dihydrochromen-4-one?
6,8-difluoro-2-methyl-2,3-dihydrochromen-4-one has a molecular weight of 198.17 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-2-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 43536412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).