(5-bromo-2-fluorophenyl) formate;(5-bromo-2-fluorophenyl)methanol

C14H10Br2F2O3 — CID 160535121

IUPAC(5-bromo-2-fluorophenyl) formate;(5-bromo-2-fluorophenyl)methanol
SMILESO=COc1cc(Br)ccc1F.OCc1cc(Br)ccc1F
InChIInChI=1S/C7H4BrFO2.C7H6BrFO/c8-5-1-2-6(9)7(3-5)11-4-10;8-6-1-2-7(9)5(3-6)4-10/h1-4H;1-3,10H,4H2
InChIKeyQWAZQVHVZSGWMP-UHFFFAOYSA-N
MW424.04 g/mol
LogP4.20
Rot. Bonds3

About (5-bromo-2-fluorophenyl) formate;(5-bromo-2-fluorophenyl)methanol

(5-bromo-2-fluorophenyl) formate;(5-bromo-2-fluorophenyl)methanol (PubChem CID 160535121) has the molecular formula C14H10Br2F2O3 and a molecular weight of 424.04 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl) formate;(5-bromo-2-fluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl) formate;(5-bromo-2-fluorophenyl)methanol
PubChem CID160535121
Molecular FormulaC14H10Br2F2O3
Molecular Weight424.04 g/mol
Exact Mass421.90
IUPAC Name(5-bromo-2-fluorophenyl) formate;(5-bromo-2-fluorophenyl)methanol
SMILESO=COc1cc(Br)ccc1F.OCc1cc(Br)ccc1F
InChIInChI=1S/C7H4BrFO2.C7H6BrFO/c8-5-1-2-6(9)7(3-5)11-4-10;8-6-1-2-7(9)5(3-6)4-10/h1-4H;1-3,10H,4H2
InChIKeyQWAZQVHVZSGWMP-UHFFFAOYSA-N
XLogP4.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.04
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2-fluorophenoxy)acetaldehyde
CID 114674078
[5-bromo-2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanol
CID 89437129
[5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 78993100
[2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol
CID 43472893
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone
CID 102948055
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorobenzaldehyde
CID 43324795
[4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83234633
4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene
CID 86627693
1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol
CID 99716802
[4-bromo-2-(hydroxymethyl)phenyl] acetate
CID 130978609
2-(5-bromo-2-fluorophenoxy)-N-(2-hydroxyethyl)acetamide
CID 114675145

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl) formate;(5-bromo-2-fluorophenyl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl) formate;(5-bromo-2-fluorophenyl)methanol (CID 160535121) is (5-bromo-2-fluorophenyl) formate;(5-bromo-2-fluorophenyl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl) formate;(5-bromo-2-fluorophenyl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl) formate;(5-bromo-2-fluorophenyl)methanol is O=COc1cc(Br)ccc1F.OCc1cc(Br)ccc1F.
What is the InChIKey of (5-bromo-2-fluorophenyl) formate;(5-bromo-2-fluorophenyl)methanol?
The InChIKey is QWAZQVHVZSGWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFO2.C7H6BrFO/c8-5-1-2-6(9)7(3-5)11-4-10;8-6-1-2-7(9)5(3-6)4-10/h1-4H;1-3,10H,4H2.
What are the key properties of (5-bromo-2-fluorophenyl) formate;(5-bromo-2-fluorophenyl)methanol?
(5-bromo-2-fluorophenyl) formate;(5-bromo-2-fluorophenyl)methanol has a molecular weight of 424.04 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl) formate;(5-bromo-2-fluorophenyl)methanol is sourced from PubChem (CID 160535121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).