4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde

C14H9F3O2 — CID 172650701

IUPAC4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde
SMILESCOc1ccc(C=O)c(-c2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C14H9F3O2/c1-19-10-3-2-8(7-18)11(6-10)9-4-12(15)14(17)13(16)5-9/h2-7H,1H3
InChIKeyLLPRALMEXYKXHC-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.59
Rot. Bonds3

About 4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde

4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde (PubChem CID 172650701) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde.

Molecular Properties

Compound Name4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde
PubChem CID172650701
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Name4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde
SMILESCOc1ccc(C=O)c(-c2cc(F)c(F)c(F)c2)c1
InChIInChI=1S/C14H9F3O2/c1-19-10-3-2-8(7-18)11(6-10)9-4-12(15)14(17)13(16)5-9/h2-7H,1H3
InChIKeyLLPRALMEXYKXHC-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'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-(4-methoxy-2-methylphenyl)benzaldehyde
CID 54910260
4,5-difluoro-2-(2-fluoro-5-methoxyphenyl)benzaldehyde
CID 172909455
2-(3,4,5-trifluorophenyl)benzaldehyde
CID 61240259
4-(2-fluoro-5-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876954
4-methoxy-2-(2-methoxy-4-pyridinyl)benzaldehyde
CID 172649224
5-(2-fluoro-5-methoxyphenyl)-2-hydroxybenzaldehyde
CID 53220437
2-fluoro-5-(2-fluoro-4-methoxyphenyl)benzaldehyde
CID 54910502
4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde
CID 114060111
5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 59599763
2-(2-fluorophenyl)-5-methoxybenzaldehyde
CID 46314388
4-(2-formyl-5-methoxyphenyl)benzenecarboximidamide
CID 54216816
4-methoxy-2-(4-methylthiophen-2-yl)benzaldehyde
CID 172650181

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde?
The IUPAC name of 4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde (CID 172650701) is 4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde.
What is the SMILES notation for 4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde?
The canonical SMILES for 4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde is COc1ccc(C=O)c(-c2cc(F)c(F)c(F)c2)c1.
What is the InChIKey of 4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde?
The InChIKey is LLPRALMEXYKXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c1-19-10-3-2-8(7-18)11(6-10)9-4-12(15)14(17)13(16)5-9/h2-7H,1H3.
What are the key properties of 4-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde?
4-methoxy-2-(3,4,5-trifluorophenyl)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-methoxy-2-(3,4,5-trifluorophenyl)benzaldehyde is sourced from PubChem (CID 172650701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).