(2R)-8-bromo-5,6-difluoro-2-methyl-2,3-dihydrochromen-4-one

C10H7BrF2O2 — CID 164603577

IUPAC(2R)-8-bromo-5,6-difluoro-2-methyl-2,3-dihydrochromen-4-one
SMILESC[C@@H]1CC(=O)c2c(F)c(F)cc(Br)c2O1
InChIInChI=1S/C10H7BrF2O2/c1-4-2-7(14)8-9(13)6(12)3-5(11)10(8)15-4/h3-4H,2H2,1H3/t4-/m1/s1
InChIKeyNVLUINUCJAMGDK-SCSAIBSYSA-N
MW277.06 g/mol
LogP3.08
Rot. Bonds

About (2R)-8-bromo-5,6-difluoro-2-methyl-2,3-dihydrochromen-4-one

(2R)-8-bromo-5,6-difluoro-2-methyl-2,3-dihydrochromen-4-one (PubChem CID 164603577) has the molecular formula C10H7BrF2O2 and a molecular weight of 277.06 g/mol. Its IUPAC name is (2R)-8-bromo-5,6-difluoro-2-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-8-bromo-5,6-difluoro-2-methyl-2,3-dihydrochromen-4-one
PubChem CID164603577
Molecular FormulaC10H7BrF2O2
Molecular Weight277.06 g/mol
Exact Mass275.96
IUPAC Name(2R)-8-bromo-5,6-difluoro-2-methyl-2,3-dihydrochromen-4-one
SMILESC[C@@H]1CC(=O)c2c(F)c(F)cc(Br)c2O1
InChIInChI=1S/C10H7BrF2O2/c1-4-2-7(14)8-9(13)6(12)3-5(11)10(8)15-4/h3-4H,2H2,1H3/t4-/m1/s1
InChIKeyNVLUINUCJAMGDK-SCSAIBSYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-8-bromo-5,6-difluoro-2-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-8-bromo-5,6-difluoro-2-methyl-2,3-dihydrochromen-4-one (CID 164603577) is (2R)-8-bromo-5,6-difluoro-2-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-8-bromo-5,6-difluoro-2-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-8-bromo-5,6-difluoro-2-methyl-2,3-dihydrochromen-4-one is C[C@@H]1CC(=O)c2c(F)c(F)cc(Br)c2O1.
What is the InChIKey of (2R)-8-bromo-5,6-difluoro-2-methyl-2,3-dihydrochromen-4-one?
The InChIKey is NVLUINUCJAMGDK-SCSAIBSYSA-N. The full InChI is InChI=1S/C10H7BrF2O2/c1-4-2-7(14)8-9(13)6(12)3-5(11)10(8)15-4/h3-4H,2H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-8-bromo-5,6-difluoro-2-methyl-2,3-dihydrochromen-4-one?
(2R)-8-bromo-5,6-difluoro-2-methyl-2,3-dihydrochromen-4-one has a molecular weight of 277.06 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-8-bromo-5,6-difluoro-2-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 164603577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).