4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde

C14H10F2O2 — CID 114060111

IUPAC4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(-c2cc(F)ccc2C=O)cc1F
InChIInChI=1S/C14H10F2O2/c1-18-14-5-3-9(6-13(14)16)12-7-11(15)4-2-10(12)8-17/h2-8H,1H3
InChIKeyCLPLCJSZLHFTIZ-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.45
Rot. Bonds3

About 4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde

4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde (PubChem CID 114060111) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde
PubChem CID114060111
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(-c2cc(F)ccc2C=O)cc1F
InChIInChI=1S/C14H10F2O2/c1-18-14-5-3-9(6-13(14)16)12-7-11(15)4-2-10(12)8-17/h2-8H,1H3
InChIKeyCLPLCJSZLHFTIZ-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
5-(4-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 74891133
4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
2-(3-fluoro-4-methylphenyl)-4,5-dimethoxybenzaldehyde
CID 115502475
methyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate
CID 86674254
4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde
CID 103523706
4-(3,4-difluorophenyl)-2,5-dimethoxybenzaldehyde
CID 164891680
2-fluoro-4-(5-fluoro-2-methoxyphenyl)aniline
CID 54912635
2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenol
CID 53219462
4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650701
5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde
CID 54912704

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde?
The IUPAC name of 4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde (CID 114060111) is 4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde.
What is the SMILES notation for 4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde?
The canonical SMILES for 4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde is COc1ccc(-c2cc(F)ccc2C=O)cc1F.
What is the InChIKey of 4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde?
The InChIKey is CLPLCJSZLHFTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c1-18-14-5-3-9(6-13(14)16)12-7-11(15)4-2-10(12)8-17/h2-8H,1H3.
What are the key properties of 4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde?
4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde has a molecular weight of 248.23 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde is sourced from PubChem (CID 114060111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).