4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde

C14H9F3O2 — CID 172909455

IUPAC4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(F)c(-c2cc(F)c(F)cc2C=O)c1
InChIInChI=1S/C14H9F3O2/c1-19-9-2-3-12(15)11(5-9)10-6-14(17)13(16)4-8(10)7-18/h2-7H,1H3
InChIKeyGPARLZYCTIJCGS-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.59
Rot. Bonds3

About 4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde

4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde (PubChem CID 172909455) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde
PubChem CID172909455
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Name4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(F)c(-c2cc(F)c(F)cc2C=O)c1
InChIInChI=1S/C14H9F3O2/c1-19-9-2-3-12(15)11(5-9)10-6-14(17)13(16)4-8(10)7-18/h2-7H,1H3
InChIKeyGPARLZYCTIJCGS-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.59
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

2-(2-fluorophenyl)-5-methoxybenzaldehyde
CID 46314388
5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220437
2-(2-fluoro-4-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 61034520
4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650701
4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876954
2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde
CID 54910502
2-(3-fluoro-2-methylphenyl)-5-methoxybenzaldehyde
CID 114077817
2-(2-fluoro-5-methoxyphenyl)-1H-imidazole-5-carbaldehyde
CID 87404424
1-fluoro-4-methoxy-2-(2-methoxyphenyl)benzene
CID 69262125
2-(3-fluorophenyl)-5-methoxybenzaldehyde
CID 46314389
4-fluoro-3-(4-methoxyphenyl)benzaldehyde
CID 39231865
5-chloro-2-(4-methoxyphenyl)benzaldehyde
CID 66159684

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde?
The IUPAC name of 4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde (CID 172909455) is 4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde.
What is the SMILES notation for 4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde?
The canonical SMILES for 4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde is COc1ccc(F)c(-c2cc(F)c(F)cc2C=O)c1.
What is the InChIKey of 4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde?
The InChIKey is GPARLZYCTIJCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c1-19-9-2-3-12(15)11(5-9)10-6-14(17)13(16)4-8(10)7-18/h2-7H,1H3.
What are the key properties of 4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde?
4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde has a molecular weight of 266.22 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde is sourced from PubChem (CID 172909455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).