2-ethyl-5,7-difluoronaphthalene-1-carbaldehyde

C13H10F2O — CID 86627294

IUPAC2-ethyl-5,7-difluoronaphthalene-1-carbaldehyde
SMILESCCc1ccc2c(F)cc(F)cc2c1C=O
InChIInChI=1S/C13H10F2O/c1-2-8-3-4-10-11(12(8)7-16)5-9(14)6-13(10)15/h3-7H,2H2,1H3
InChIKeyNJGXFFHQHWXPCR-UHFFFAOYSA-N
MW220.22 g/mol
LogP3.49
Rot. Bonds2

About 2-ethyl-5,7-difluoronaphthalene-1-carbaldehyde

2-ethyl-5,7-difluoronaphthalene-1-carbaldehyde (PubChem CID 86627294) has the molecular formula C13H10F2O and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-ethyl-5,7-difluoronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-5,7-difluoronaphthalene-1-carbaldehyde
PubChem CID86627294
Molecular FormulaC13H10F2O
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name2-ethyl-5,7-difluoronaphthalene-1-carbaldehyde
SMILESCCc1ccc2c(F)cc(F)cc2c1C=O
InChIInChI=1S/C13H10F2O/c1-2-8-3-4-10-11(12(8)7-16)5-9(14)6-13(10)15/h3-7H,2H2,1H3
InChIKeyNJGXFFHQHWXPCR-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,7-difluoronaphthalene-1-carbaldehyde?
The IUPAC name of 2-ethyl-5,7-difluoronaphthalene-1-carbaldehyde (CID 86627294) is 2-ethyl-5,7-difluoronaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-ethyl-5,7-difluoronaphthalene-1-carbaldehyde?
The canonical SMILES for 2-ethyl-5,7-difluoronaphthalene-1-carbaldehyde is CCc1ccc2c(F)cc(F)cc2c1C=O.
What is the InChIKey of 2-ethyl-5,7-difluoronaphthalene-1-carbaldehyde?
The InChIKey is NJGXFFHQHWXPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O/c1-2-8-3-4-10-11(12(8)7-16)5-9(14)6-13(10)15/h3-7H,2H2,1H3.
What are the key properties of 2-ethyl-5,7-difluoronaphthalene-1-carbaldehyde?
2-ethyl-5,7-difluoronaphthalene-1-carbaldehyde has a molecular weight of 220.22 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,7-difluoronaphthalene-1-carbaldehyde is sourced from PubChem (CID 86627294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).