3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol

C13H8F4O3 — CID 159523746

IUPAC3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol
SMILESO=Cc1cc(F)cc(F)c1O.Oc1ccc(F)cc1F
InChIInChI=1S/C7H4F2O2.C6H4F2O/c8-5-1-4(3-10)7(11)6(9)2-5;7-4-1-2-6(9)5(8)3-4/h1-3,11H;1-3,9H
InChIKeyMCDANIVLSUZUHR-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.15
Rot. Bonds1

About 3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol

3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol (PubChem CID 159523746) has the molecular formula C13H8F4O3 and a molecular weight of 288.20 g/mol. Its IUPAC name is 3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol.

Molecular Properties

Compound Name3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol
PubChem CID159523746
Molecular FormulaC13H8F4O3
Molecular Weight288.20 g/mol
Exact Mass288.04
IUPAC Name3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol
SMILESO=Cc1cc(F)cc(F)c1O.Oc1ccc(F)cc1F
InChIInChI=1S/C7H4F2O2.C6H4F2O/c8-5-1-4(3-10)7(11)6(9)2-5;7-4-1-2-6(9)5(8)3-4/h1-3,11H;1-3,9H
InChIKeyMCDANIVLSUZUHR-UHFFFAOYSA-N
XLogP3.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-2,4-dihydroxybenzaldehyde
CID 18942327
5-acetyl-3-fluoro-2-hydroxybenzaldehyde
CID 170687896
N-ethyl-N-methylpropan-2-amine;5-fluoro-2-hydroxybenzaldehyde
CID 176923353
4-(3,5-difluoro-2-hydroxyphenyl)but-3-enal
CID 170481796
2-hydroxy-4-(2,4,6-trifluorophenyl)benzaldehyde
CID 53220480
2-chloro-4-(3-fluoro-4-hydroxyphenyl)benzaldehyde
CID 58978553
3-[(dimethylamino)methyl]-5-fluoro-2-hydroxybenzaldehyde
CID 83484910
5-fluoro-3-formyl-2-hydroxybenzonitrile
CID 130063153
3-(5-fluoro-2-formylphenyl)prop-2-enoic acid
CID 169460406
3-(4-fluoro-2-formylphenyl)prop-2-enoic acid
CID 169460407
2-bromo-3,5-difluorobenzaldehyde
CID 58572675
2,4-difluoro-3-hydroxybenzaldehyde
CID 593909

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol?
The IUPAC name of 3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol (CID 159523746) is 3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol.
What is the SMILES notation for 3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol?
The canonical SMILES for 3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol is O=Cc1cc(F)cc(F)c1O.Oc1ccc(F)cc1F.
What is the InChIKey of 3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol?
The InChIKey is MCDANIVLSUZUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2O2.C6H4F2O/c8-5-1-4(3-10)7(11)6(9)2-5;7-4-1-2-6(9)5(8)3-4/h1-3,11H;1-3,9H.
What are the key properties of 3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol?
3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol has a molecular weight of 288.20 g/mol, XLogP of 3.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol is sourced from PubChem (CID 159523746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).