3-fluoro-2-(2-fluoro-3-hydroxyphenyl)benzaldehyde

C13H8F2O2 — CID 165487809

IUPAC3-fluoro-2-(2-fluoro-3-hydroxyphenyl)benzaldehyde
SMILESO=Cc1cccc(F)c1-c1cccc(O)c1F
InChIInChI=1S/C13H8F2O2/c14-10-5-1-3-8(7-16)12(10)9-4-2-6-11(17)13(9)15/h1-7,17H
InChIKeyDIMXJKHALDEKJS-UHFFFAOYSA-N
MW234.20 g/mol
LogP3.15
Rot. Bonds2

About 3-fluoro-2-(2-fluoro-3-hydroxyphenyl)benzaldehyde

3-fluoro-2-(2-fluoro-3-hydroxyphenyl)benzaldehyde (PubChem CID 165487809) has the molecular formula C13H8F2O2 and a molecular weight of 234.20 g/mol. Its IUPAC name is 3-fluoro-2-(2-fluoro-3-hydroxyphenyl)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-(2-fluoro-3-hydroxyphenyl)benzaldehyde
PubChem CID165487809
Molecular FormulaC13H8F2O2
Molecular Weight234.20 g/mol
Exact Mass234.05
IUPAC Name3-fluoro-2-(2-fluoro-3-hydroxyphenyl)benzaldehyde
SMILESO=Cc1cccc(F)c1-c1cccc(O)c1F
InChIInChI=1S/C13H8F2O2/c14-10-5-1-3-8(7-16)12(10)9-4-2-6-11(17)13(9)15/h1-7,17H
InChIKeyDIMXJKHALDEKJS-UHFFFAOYSA-N
XLogP3.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3-hydroxybenzaldehyde
CID 587789
2-(2-fluoro-6-formylphenyl)-3-methylbenzaldehyde
CID 175847357
5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde
CID 53220383
2-fluoro-3-(2,3,4,5,6-pentachlorophenyl)benzaldehyde
CID 134620169
2-chloro-3-(2,3-difluorophenyl)pyridine-4-carbaldehyde
CID 133093653
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
2-fluoro-3-(4-methylphenyl)benzaldehyde
CID 171367900
3-hydroxy-2-(4-methylphenyl)benzaldehyde
CID 22125800
2-(3-bromo-2,6-difluorophenyl)benzaldehyde
CID 106943268
2-(2-hydroxyphenyl)benzaldehyde
CID 15593934
3-fluoro-2-(1H-pyrazol-5-yl)benzaldehyde
CID 144604013
2-hydroxy-3-(4-methylphenyl)benzaldehyde
CID 22507827

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-fluoro-3-hydroxyphenyl)benzaldehyde?
The IUPAC name of 3-fluoro-2-(2-fluoro-3-hydroxyphenyl)benzaldehyde (CID 165487809) is 3-fluoro-2-(2-fluoro-3-hydroxyphenyl)benzaldehyde.
What is the SMILES notation for 3-fluoro-2-(2-fluoro-3-hydroxyphenyl)benzaldehyde?
The canonical SMILES for 3-fluoro-2-(2-fluoro-3-hydroxyphenyl)benzaldehyde is O=Cc1cccc(F)c1-c1cccc(O)c1F.
What is the InChIKey of 3-fluoro-2-(2-fluoro-3-hydroxyphenyl)benzaldehyde?
The InChIKey is DIMXJKHALDEKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2O2/c14-10-5-1-3-8(7-16)12(10)9-4-2-6-11(17)13(9)15/h1-7,17H.
What are the key properties of 3-fluoro-2-(2-fluoro-3-hydroxyphenyl)benzaldehyde?
3-fluoro-2-(2-fluoro-3-hydroxyphenyl)benzaldehyde has a molecular weight of 234.20 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-fluoro-3-hydroxyphenyl)benzaldehyde is sourced from PubChem (CID 165487809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).