4-(3-ethyl-2-fluorophenyl)-2,6-difluorobenzaldehyde

C15H11F3O — CID 176581986

IUPAC4-(3-ethyl-2-fluorophenyl)-2,6-difluorobenzaldehyde
SMILESCCc1cccc(-c2cc(F)c(C=O)c(F)c2)c1F
InChIInChI=1S/C15H11F3O/c1-2-9-4-3-5-11(15(9)18)10-6-13(16)12(8-19)14(17)7-10/h3-8H,2H2,1H3
InChIKeyXQQNSBPSKXSOAL-UHFFFAOYSA-N
MW264.25 g/mol
LogP4.15
Rot. Bonds3

About 4-(3-ethyl-2-fluorophenyl)-2,6-difluorobenzaldehyde

4-(3-ethyl-2-fluorophenyl)-2,6-difluorobenzaldehyde (PubChem CID 176581986) has the molecular formula C15H11F3O and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-(3-ethyl-2-fluorophenyl)-2,6-difluorobenzaldehyde.

Molecular Properties

Compound Name4-(3-ethyl-2-fluorophenyl)-2,6-difluorobenzaldehyde
PubChem CID176581986
Molecular FormulaC15H11F3O
Molecular Weight264.25 g/mol
Exact Mass264.08
IUPAC Name4-(3-ethyl-2-fluorophenyl)-2,6-difluorobenzaldehyde
SMILESCCc1cccc(-c2cc(F)c(C=O)c(F)c2)c1F
InChIInChI=1S/C15H11F3O/c1-2-9-4-3-5-11(15(9)18)10-6-13(16)12(8-19)14(17)7-10/h3-8H,2H2,1H3
InChIKeyXQQNSBPSKXSOAL-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-ethyl-2-fluorophenyl)-2,6-difluorophenyl]-2-methylpropan-1-one
CID 176577739
5-(3-ethyl-2-fluorophenyl)pyrimidine
CID 126670993
4-ethyl-2,6-difluorobenzaldehyde
CID 88881021
1-chloro-2-(3-ethyl-2-fluorophenyl)-4,5-difluorobenzene
CID 118336787
1-(2-bromoethyl)-3-ethyl-2-fluorobenzene
CID 130140887
4-(2-fluoro-3-methoxyphenyl)-2,6-dimethylbenzaldehyde
CID 172876946
2,6-difluoro-4-(4-propylphenyl)benzaldehyde
CID 22561373
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
1-(3-bromopropyl)-3-ethyl-2-fluorobenzene
CID 166641849
2-(3,4,5-trifluorophenyl)benzaldehyde
CID 61240259
3-bromo-4-(3-ethyl-2-fluorophenyl)pyridine
CID 176734492
2-fluoro-3-propylbenzaldehyde
CID 174795778

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-2-fluorophenyl)-2,6-difluorobenzaldehyde?
The IUPAC name of 4-(3-ethyl-2-fluorophenyl)-2,6-difluorobenzaldehyde (CID 176581986) is 4-(3-ethyl-2-fluorophenyl)-2,6-difluorobenzaldehyde.
What is the SMILES notation for 4-(3-ethyl-2-fluorophenyl)-2,6-difluorobenzaldehyde?
The canonical SMILES for 4-(3-ethyl-2-fluorophenyl)-2,6-difluorobenzaldehyde is CCc1cccc(-c2cc(F)c(C=O)c(F)c2)c1F.
What is the InChIKey of 4-(3-ethyl-2-fluorophenyl)-2,6-difluorobenzaldehyde?
The InChIKey is XQQNSBPSKXSOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O/c1-2-9-4-3-5-11(15(9)18)10-6-13(16)12(8-19)14(17)7-10/h3-8H,2H2,1H3.
What are the key properties of 4-(3-ethyl-2-fluorophenyl)-2,6-difluorobenzaldehyde?
4-(3-ethyl-2-fluorophenyl)-2,6-difluorobenzaldehyde has a molecular weight of 264.25 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-2-fluorophenyl)-2,6-difluorobenzaldehyde is sourced from PubChem (CID 176581986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).