4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde

C17H9F3O — CID 118001113

IUPAC4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc3c(F)c(F)c(F)cc3c2)cc1
InChIInChI=1S/C17H9F3O/c18-15-8-13-7-12(5-6-14(13)16(19)17(15)20)11-3-1-10(9-21)2-4-11/h1-9H
InChIKeyWHODZCXOMCAUPS-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.74
Rot. Bonds2

About 4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde

4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde (PubChem CID 118001113) has the molecular formula C17H9F3O and a molecular weight of 286.25 g/mol. Its IUPAC name is 4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde
PubChem CID118001113
Molecular FormulaC17H9F3O
Molecular Weight286.25 g/mol
Exact Mass286.06
IUPAC Name4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc3c(F)c(F)c(F)cc3c2)cc1
InChIInChI=1S/C17H9F3O/c18-15-8-13-7-12(5-6-14(13)16(19)17(15)20)11-3-1-10(9-21)2-4-11/h1-9H
InChIKeyWHODZCXOMCAUPS-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

6-[4-(difluoromethyl)phenyl]-1,2,3-trifluoronaphthalene
CID 151175004
6-(4-ethenyl-2,6-difluorophenyl)-1,2,3-trifluoronaphthalene
CID 139846798
6-[4-(4-ethenyl-2-fluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847194
4-triphenylen-2-ylbenzaldehyde
CID 58078284
4-(3,5-difluorophenyl)benzaldehyde
CID 11367947
5,7-difluoronaphthalene-2-carbaldehyde
CID 10845407
4-(2,4,6-trifluorophenyl)benzaldehyde
CID 54910403
5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde
CID 146019858
3,5-bis(4-formylphenyl)benzaldehyde
CID 141451191
3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]benzaldehyde
CID 86708833
6-(4-phenylphenyl)naphthalene-2-carbaldehyde
CID 59801235
4-[4,9,10-tris(4-formylphenyl)perylen-3-yl]benzaldehyde
CID 170691767

Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde?
The IUPAC name of 4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde (CID 118001113) is 4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde.
What is the SMILES notation for 4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde?
The canonical SMILES for 4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde is O=Cc1ccc(-c2ccc3c(F)c(F)c(F)cc3c2)cc1.
What is the InChIKey of 4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde?
The InChIKey is WHODZCXOMCAUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3O/c18-15-8-13-7-12(5-6-14(13)16(19)17(15)20)11-3-1-10(9-21)2-4-11/h1-9H.
What are the key properties of 4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde?
4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde has a molecular weight of 286.25 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde is sourced from PubChem (CID 118001113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).