(4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol

C9H7BrF2O2 — CID 107102402

IUPAC(4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CCOc2c(F)c(F)cc(Br)c21
InChIInChI=1S/C9H7BrF2O2/c10-4-3-5(11)8(12)9-7(4)6(13)1-2-14-9/h3,6,13H,1-2H2/t6-/m1/s1
InChIKeyXSEANWUBYVRNPK-ZCFIWIBFSA-N
MW265.05 g/mol
LogP2.54
Rot. Bonds

About (4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol

(4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 107102402) has the molecular formula C9H7BrF2O2 and a molecular weight of 265.05 g/mol. Its IUPAC name is (4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID107102402
Molecular FormulaC9H7BrF2O2
Molecular Weight265.05 g/mol
Exact Mass263.96
IUPAC Name(4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CCOc2c(F)c(F)cc(Br)c21
InChIInChI=1S/C9H7BrF2O2/c10-4-3-5(11)8(12)9-7(4)6(13)1-2-14-9/h3,6,13H,1-2H2/t6-/m1/s1
InChIKeyXSEANWUBYVRNPK-ZCFIWIBFSA-N
XLogP2.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R)-6-bromo-8,9-difluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 107100721
5-bromo-7,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 107100720
(4S)-8-bromo-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252127
(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 107287207
(10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol
CID 115417852
5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 102990727
(4R)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 130501634
4-bromo-6,7-difluoro-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 107100730
(1S)-7-bromo-5,8-difluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417907
6-bromo-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 107287206
8-bromo-5,6-difluoro-3,4-dihydro-2H-chromene
CID 141158645
8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104831142

Frequently Asked Questions

What is the IUPAC name of (4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol (CID 107102402) is (4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1CCOc2c(F)c(F)cc(Br)c21.
What is the InChIKey of (4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is XSEANWUBYVRNPK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H7BrF2O2/c10-4-3-5(11)8(12)9-7(4)6(13)1-2-14-9/h3,6,13H,1-2H2/t6-/m1/s1.
What are the key properties of (4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol?
(4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 265.05 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 107102402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).