(5R)-7-bromo-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

C10H10BrFO2 — CID 115410725

IUPAC(5R)-7-bromo-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
SMILESO[C@@H]1CCCOc2cc(F)c(Br)cc21
InChIInChI=1S/C10H10BrFO2/c11-7-4-6-9(13)2-1-3-14-10(6)5-8(7)12/h4-5,9,13H,1-3H2/t9-/m1/s1
InChIKeyBKAKFEJJSAKRDS-SECBINFHSA-N
MW261.09 g/mol
LogP2.79
Rot. Bonds

About (5R)-7-bromo-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

(5R)-7-bromo-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol (PubChem CID 115410725) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is (5R)-7-bromo-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol.

Molecular Properties

Compound Name(5R)-7-bromo-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
PubChem CID115410725
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name(5R)-7-bromo-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
SMILESO[C@@H]1CCCOc2cc(F)c(Br)cc21
InChIInChI=1S/C10H10BrFO2/c11-7-4-6-9(13)2-1-3-14-10(6)5-8(7)12/h4-5,9,13H,1-3H2/t9-/m1/s1
InChIKeyBKAKFEJJSAKRDS-SECBINFHSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5R)-7-bromo-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 115410630
(5R)-7-bromo-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 115410623
(5S)-8-fluoro-7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 107171599
(4R)-6-chloro-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 82717481
7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 64981565
8-bromo-7-fluoro-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 83234979
8-bromo-7-fluoro-N-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 83234816
(3R)-5-bromo-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
CID 99454508
(3S)-5-bromo-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
CID 99454509
(5S)-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 79014200
(5S)-7-(2-methylbutan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 79014175
5-bromo-N-ethyl-6-fluoro-2,3-dihydro-1-benzofuran-3-amine
CID 115410640

Frequently Asked Questions

What is the IUPAC name of (5R)-7-bromo-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol?
The IUPAC name of (5R)-7-bromo-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol (CID 115410725) is (5R)-7-bromo-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol.
What is the SMILES notation for (5R)-7-bromo-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol?
The canonical SMILES for (5R)-7-bromo-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol is O[C@@H]1CCCOc2cc(F)c(Br)cc21.
What is the InChIKey of (5R)-7-bromo-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol?
The InChIKey is BKAKFEJJSAKRDS-SECBINFHSA-N. The full InChI is InChI=1S/C10H10BrFO2/c11-7-4-6-9(13)2-1-3-14-10(6)5-8(7)12/h4-5,9,13H,1-3H2/t9-/m1/s1.
What are the key properties of (5R)-7-bromo-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol?
(5R)-7-bromo-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol has a molecular weight of 261.09 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-bromo-8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-ol is sourced from PubChem (CID 115410725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).