(3S)-6,8-difluoro-3-methyl-2,3-dihydrochromen-4-one

C10H8F2O2 — CID 59318441

IUPAC(3S)-6,8-difluoro-3-methyl-2,3-dihydrochromen-4-one
SMILESC[C@H]1COc2c(F)cc(F)cc2C1=O
InChIInChI=1S/C10H8F2O2/c1-5-4-14-10-7(9(5)13)2-6(11)3-8(10)12/h2-3,5H,4H2,1H3/t5-/m0/s1
InChIKeyOHMPIILYAYVYNH-YFKPBYRVSA-N
MW198.17 g/mol
LogP2.18
Rot. Bonds

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

(3S)-6,8-difluoro-3-methyl-2,3-dihydrochromen-4-one (PubChem CID 59318441) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is (3S)-6,8-difluoro-3-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(3S)-6,8-difluoro-3-methyl-2,3-dihydrochromen-4-one
PubChem CID59318441
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name(3S)-6,8-difluoro-3-methyl-2,3-dihydrochromen-4-one
SMILESC[C@H]1COc2c(F)cc(F)cc2C1=O
InChIInChI=1S/C10H8F2O2/c1-5-4-14-10-7(9(5)13)2-6(11)3-8(10)12/h2-3,5H,4H2,1H3/t5-/m0/s1
InChIKeyOHMPIILYAYVYNH-YFKPBYRVSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-6,8-difluoro-3-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of (3S)-6,8-difluoro-3-methyl-2,3-dihydrochromen-4-one (CID 59318441) is (3S)-6,8-difluoro-3-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (3S)-6,8-difluoro-3-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (3S)-6,8-difluoro-3-methyl-2,3-dihydrochromen-4-one is C[C@H]1COc2c(F)cc(F)cc2C1=O.
What is the InChIKey of (3S)-6,8-difluoro-3-methyl-2,3-dihydrochromen-4-one?
The InChIKey is OHMPIILYAYVYNH-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H8F2O2/c1-5-4-14-10-7(9(5)13)2-6(11)3-8(10)12/h2-3,5H,4H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-6,8-difluoro-3-methyl-2,3-dihydrochromen-4-one?
(3S)-6,8-difluoro-3-methyl-2,3-dihydrochromen-4-one has a molecular weight of 198.17 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6,8-difluoro-3-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 59318441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).