(3R)-3-bromo-7-(difluoromethoxy)-2,3-dihydrochromen-4-one

C10H7BrF2O3 — CID 177204677

IUPAC(3R)-3-bromo-7-(difluoromethoxy)-2,3-dihydrochromen-4-one
SMILESO=C1c2ccc(OC(F)F)cc2OC[C@H]1Br
InChIInChI=1S/C10H7BrF2O3/c11-7-4-15-8-3-5(16-10(12)13)1-2-6(8)9(7)14/h1-3,7,10H,4H2/t7-/m1/s1
InChIKeyVERJZAXGBSAEGU-SSDOTTSWSA-N
MW293.06 g/mol
LogP2.63
Rot. Bonds2

About (3R)-3-bromo-7-(difluoromethoxy)-2,3-dihydrochromen-4-one

(3R)-3-bromo-7-(difluoromethoxy)-2,3-dihydrochromen-4-one (PubChem CID 177204677) has the molecular formula C10H7BrF2O3 and a molecular weight of 293.06 g/mol. Its IUPAC name is (3R)-3-bromo-7-(difluoromethoxy)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(3R)-3-bromo-7-(difluoromethoxy)-2,3-dihydrochromen-4-one
PubChem CID177204677
Molecular FormulaC10H7BrF2O3
Molecular Weight293.06 g/mol
Exact Mass291.95
IUPAC Name(3R)-3-bromo-7-(difluoromethoxy)-2,3-dihydrochromen-4-one
SMILESO=C1c2ccc(OC(F)F)cc2OC[C@H]1Br
InChIInChI=1S/C10H7BrF2O3/c11-7-4-15-8-3-5(16-10(12)13)1-2-6(8)9(7)14/h1-3,7,10H,4H2/t7-/m1/s1
InChIKeyVERJZAXGBSAEGU-SSDOTTSWSA-N
XLogP2.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(difluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63097077
(3R,4R)-3-bromo-7-(difluoromethoxy)-3,4-dihydro-2H-chromen-4-ol
CID 177204858
(3S)-3-amino-7-(difluoromethoxy)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 90351190
6-(difluoromethoxy)-2,3-dihydro-1-benzofuran
CID 177206683
3-bromo-6-phenylmethoxy-2,3-dihydrochromen-4-one
CID 19600716
ethyl 2-fluoro-2-[(3-oxo-1-benzofuran-6-yl)oxy]acetate
CID 79357419
(3S)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one;(3R)-7-methoxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 139082868
(3S,4S)-7-(difluoromethoxy)-4-methyl-3-(2-methylpropoxy)-3,4-dihydro-2H-chromene
CID 177207308
S-(7-methoxy-4-oxo-2,3-dihydrochromen-3-yl) 2,2,2-trifluoroethanethioate
CID 57178711
(2R,4aS,10bS)-8-(difluoromethoxy)-2-methyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b][1,4]oxazine
CID 177205533
(3-benzyl-4-oxo-2,3-dihydrochromen-7-yl) trifluoromethanesulfonate
CID 19428307
6-(difluoromethoxy)-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 171340855

Frequently Asked Questions

What is the IUPAC name of (3R)-3-bromo-7-(difluoromethoxy)-2,3-dihydrochromen-4-one?
The IUPAC name of (3R)-3-bromo-7-(difluoromethoxy)-2,3-dihydrochromen-4-one (CID 177204677) is (3R)-3-bromo-7-(difluoromethoxy)-2,3-dihydrochromen-4-one.
What is the SMILES notation for (3R)-3-bromo-7-(difluoromethoxy)-2,3-dihydrochromen-4-one?
The canonical SMILES for (3R)-3-bromo-7-(difluoromethoxy)-2,3-dihydrochromen-4-one is O=C1c2ccc(OC(F)F)cc2OC[C@H]1Br.
What is the InChIKey of (3R)-3-bromo-7-(difluoromethoxy)-2,3-dihydrochromen-4-one?
The InChIKey is VERJZAXGBSAEGU-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H7BrF2O3/c11-7-4-15-8-3-5(16-10(12)13)1-2-6(8)9(7)14/h1-3,7,10H,4H2/t7-/m1/s1.
What are the key properties of (3R)-3-bromo-7-(difluoromethoxy)-2,3-dihydrochromen-4-one?
(3R)-3-bromo-7-(difluoromethoxy)-2,3-dihydrochromen-4-one has a molecular weight of 293.06 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-bromo-7-(difluoromethoxy)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 177204677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).