5,7-difluoronaphthalene-2-carbaldehyde

C11H6F2O — CID 10845407

IUPAC5,7-difluoronaphthalene-2-carbaldehyde
SMILESO=Cc1ccc2c(F)cc(F)cc2c1
InChIInChI=1S/C11H6F2O/c12-9-4-8-3-7(6-14)1-2-10(8)11(13)5-9/h1-6H
InChIKeyYXJSGYKLKTVGAE-UHFFFAOYSA-N
MW192.16 g/mol
LogP2.93
Rot. Bonds1

About 5,7-difluoronaphthalene-2-carbaldehyde

5,7-difluoronaphthalene-2-carbaldehyde (PubChem CID 10845407) has the molecular formula C11H6F2O and a molecular weight of 192.16 g/mol. Its IUPAC name is 5,7-difluoronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name5,7-difluoronaphthalene-2-carbaldehyde
PubChem CID10845407
Molecular FormulaC11H6F2O
Molecular Weight192.16 g/mol
Exact Mass192.04
IUPAC Name5,7-difluoronaphthalene-2-carbaldehyde
SMILESO=Cc1ccc2c(F)cc(F)cc2c1
InChIInChI=1S/C11H6F2O/c12-9-4-8-3-7(6-14)1-2-10(8)11(13)5-9/h1-6H
InChIKeyYXJSGYKLKTVGAE-UHFFFAOYSA-N
XLogP2.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 52.93
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

4-(2,4,6-trifluorophenoxy)benzaldehyde
CID 178142312
naphthalene-2,6-dicarbaldehyde
CID 159038637
4-(2,4,6-trifluorophenyl)benzaldehyde
CID 54910403
3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde
CID 122476157
4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde
CID 118001113
2,3-difluoroquinoline-6-carbaldehyde
CID 152582580
4-(3,5-difluorophenyl)benzaldehyde
CID 11367947
hexahelicene-2,15-dicarbaldehyde
CID 10667716
4-fluorobenzaldehyde;4-fluoro-3-iodobenzaldehyde
CID 161454151
3-fluoro-4-(2,3,4-trifluorophenyl)benzaldehyde
CID 81448027
5-bromonaphthalene-2-carbaldehyde
CID 2750349
5-(6-formyl-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbaldehyde
CID 59034797

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoronaphthalene-2-carbaldehyde?
The IUPAC name of 5,7-difluoronaphthalene-2-carbaldehyde (CID 10845407) is 5,7-difluoronaphthalene-2-carbaldehyde.
What is the SMILES notation for 5,7-difluoronaphthalene-2-carbaldehyde?
The canonical SMILES for 5,7-difluoronaphthalene-2-carbaldehyde is O=Cc1ccc2c(F)cc(F)cc2c1.
What is the InChIKey of 5,7-difluoronaphthalene-2-carbaldehyde?
The InChIKey is YXJSGYKLKTVGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2O/c12-9-4-8-3-7(6-14)1-2-10(8)11(13)5-9/h1-6H.
What are the key properties of 5,7-difluoronaphthalene-2-carbaldehyde?
5,7-difluoronaphthalene-2-carbaldehyde has a molecular weight of 192.16 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoronaphthalene-2-carbaldehyde is sourced from PubChem (CID 10845407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).