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

C14H10F2O2 — CID 54910502

IUPAC2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(-c2ccc(F)c(C=O)c2)c(F)c1
InChIInChI=1S/C14H10F2O2/c1-18-11-3-4-12(14(16)7-11)9-2-5-13(15)10(6-9)8-17/h2-8H,1H3
InChIKeyJVHJVKSWXDMAGN-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.45
Rot. Bonds3

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

2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde (PubChem CID 54910502) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde
PubChem CID54910502
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(-c2ccc(F)c(C=O)c2)c(F)c1
InChIInChI=1S/C14H10F2O2/c1-18-11-3-4-12(14(16)7-11)9-2-5-13(15)10(6-9)8-17/h2-8H,1H3
InChIKeyJVHJVKSWXDMAGN-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-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220437
5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 59599763
5-(2,4-difluorophenyl)-2-fluorobenzaldehyde
CID 61033868
2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde
CID 54910260
2-(2-fluoro-4-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 61034520
2-fluoro-5-(2,4,5-trifluorophenyl)benzaldehyde
CID 115503115
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde
CID 172909455
5-chloro-2-(4-methoxyphenyl)benzaldehyde
CID 66159684
2-(3-fluorophenyl)-5-methoxybenzaldehyde
CID 46314389
2-(2-fluorophenyl)-5-methoxybenzaldehyde
CID 46314388
4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650701

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde?
The IUPAC name of 2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde (CID 54910502) is 2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde.
What is the SMILES notation for 2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde?
The canonical SMILES for 2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde is COc1ccc(-c2ccc(F)c(C=O)c2)c(F)c1.
What is the InChIKey of 2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde?
The InChIKey is JVHJVKSWXDMAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c1-18-11-3-4-12(14(16)7-11)9-2-5-13(15)10(6-9)8-17/h2-8H,1H3.
What are the key properties of 2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde?
2-fluoro-5-(2-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 2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde is sourced from PubChem (CID 54910502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).