2-bromo-3-fluorobenzaldehyde;(2-bromo-3-fluorophenyl)methanol;dimethylphosphane

C16H17Br2F2O2P — CID 157363858

IUPAC2-bromo-3-fluorobenzaldehyde;(2-bromo-3-fluorophenyl)methanol;dimethylphosphane
SMILESCPC.O=Cc1cccc(F)c1Br.OCc1cccc(F)c1Br
InChIInChI=1S/C7H6BrFO.C7H4BrFO.C2H7P/c2*8-7-5(4-10)2-1-3-6(7)9;1-3-2/h1-3,10H,4H2;1-4H;3H,1-2H3
InChIKeyBIYJGGAFYUILRQ-UHFFFAOYSA-N
MW470.09 g/mol
LogP5.41
Rot. Bonds2

About 2-bromo-3-fluorobenzaldehyde;(2-bromo-3-fluorophenyl)methanol;dimethylphosphane

2-bromo-3-fluorobenzaldehyde;(2-bromo-3-fluorophenyl)methanol;dimethylphosphane (PubChem CID 157363858) has the molecular formula C16H17Br2F2O2P and a molecular weight of 470.09 g/mol. Its IUPAC name is 2-bromo-3-fluorobenzaldehyde;(2-bromo-3-fluorophenyl)methanol;dimethylphosphane.

Molecular Properties

Compound Name2-bromo-3-fluorobenzaldehyde;(2-bromo-3-fluorophenyl)methanol;dimethylphosphane
PubChem CID157363858
Molecular FormulaC16H17Br2F2O2P
Molecular Weight470.09 g/mol
Exact Mass467.93
IUPAC Name2-bromo-3-fluorobenzaldehyde;(2-bromo-3-fluorophenyl)methanol;dimethylphosphane
SMILESCPC.O=Cc1cccc(F)c1Br.OCc1cccc(F)c1Br
InChIInChI=1S/C7H6BrFO.C7H4BrFO.C2H7P/c2*8-7-5(4-10)2-1-3-6(7)9;1-3-2/h1-3,10H,4H2;1-4H;3H,1-2H3
InChIKeyBIYJGGAFYUILRQ-UHFFFAOYSA-N
XLogP5.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.09
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-3-formylphenyl)acetic acid
CID 175440752
3-bromo-2,4-difluorobenzaldehyde
CID 74891957
3-ethyl-2-(hydroxymethyl)benzaldehyde
CID 131495774
2-fluoro-3-hydroxybenzaldehyde
CID 587789
2-fluoro-3-propylbenzaldehyde
CID 174795778
(E)-1-(2-bromo-3-fluorophenyl)hex-3-en-2-one
CID 103454108
1-(2-bromo-3-fluorophenyl)-3-(ethylamino)propan-2-one
CID 116562639
1-(2-bromo-3-fluorophenyl)-3,4-dimethylpentan-2-one
CID 115789993
1-(2-bromo-3-fluorophenyl)pent-4-en-2-one
CID 116659410
2,6-bis(hydroxymethyl)benzaldehyde
CID 87930844
1-(2-bromo-3-fluorophenyl)-3-cyclohexylidenepropan-2-one
CID 103457735
2-bromo-1-(3-bromoprop-1-enyl)-3-fluorobenzene
CID 169476658

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluorobenzaldehyde;(2-bromo-3-fluorophenyl)methanol;dimethylphosphane?
The IUPAC name of 2-bromo-3-fluorobenzaldehyde;(2-bromo-3-fluorophenyl)methanol;dimethylphosphane (CID 157363858) is 2-bromo-3-fluorobenzaldehyde;(2-bromo-3-fluorophenyl)methanol;dimethylphosphane.
What is the SMILES notation for 2-bromo-3-fluorobenzaldehyde;(2-bromo-3-fluorophenyl)methanol;dimethylphosphane?
The canonical SMILES for 2-bromo-3-fluorobenzaldehyde;(2-bromo-3-fluorophenyl)methanol;dimethylphosphane is CPC.O=Cc1cccc(F)c1Br.OCc1cccc(F)c1Br.
What is the InChIKey of 2-bromo-3-fluorobenzaldehyde;(2-bromo-3-fluorophenyl)methanol;dimethylphosphane?
The InChIKey is BIYJGGAFYUILRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFO.C7H4BrFO.C2H7P/c2*8-7-5(4-10)2-1-3-6(7)9;1-3-2/h1-3,10H,4H2;1-4H;3H,1-2H3.
What are the key properties of 2-bromo-3-fluorobenzaldehyde;(2-bromo-3-fluorophenyl)methanol;dimethylphosphane?
2-bromo-3-fluorobenzaldehyde;(2-bromo-3-fluorophenyl)methanol;dimethylphosphane has a molecular weight of 470.09 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluorobenzaldehyde;(2-bromo-3-fluorophenyl)methanol;dimethylphosphane is sourced from PubChem (CID 157363858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).