5,6,7-trifluoro-2-methylnaphthalene-1-carbaldehyde

C12H7F3O — CID 86627307

IUPAC5,6,7-trifluoro-2-methylnaphthalene-1-carbaldehyde
SMILESCc1ccc2c(F)c(F)c(F)cc2c1C=O
InChIInChI=1S/C12H7F3O/c1-6-2-3-7-8(9(6)5-16)4-10(13)12(15)11(7)14/h2-5H,1H3
InChIKeyQAOXCDBNKDYAPQ-UHFFFAOYSA-N
MW224.18 g/mol
LogP3.38
Rot. Bonds1

About 5,6,7-trifluoro-2-methylnaphthalene-1-carbaldehyde

5,6,7-trifluoro-2-methylnaphthalene-1-carbaldehyde (PubChem CID 86627307) has the molecular formula C12H7F3O and a molecular weight of 224.18 g/mol. Its IUPAC name is 5,6,7-trifluoro-2-methylnaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name5,6,7-trifluoro-2-methylnaphthalene-1-carbaldehyde
PubChem CID86627307
Molecular FormulaC12H7F3O
Molecular Weight224.18 g/mol
Exact Mass224.04
IUPAC Name5,6,7-trifluoro-2-methylnaphthalene-1-carbaldehyde
SMILESCc1ccc2c(F)c(F)c(F)cc2c1C=O
InChIInChI=1S/C12H7F3O/c1-6-2-3-7-8(9(6)5-16)4-10(13)12(15)11(7)14/h2-5H,1H3
InChIKeyQAOXCDBNKDYAPQ-UHFFFAOYSA-N
XLogP3.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 53.38
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-fluoro-2-methylnaphthalene-1-carbaldehyde
CID 66572465
2,6-difluoro-3-methylbenzaldehyde
CID 2774137
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
2,3,4-trifluoro-6-methoxybenzaldehyde
CID 105443995
5-bromo-8-fluoro-6-methylquinoline-2-carbaldehyde
CID 97036774
6-fluoro-3-methyl-2-(4-oxobut-1-enyl)benzaldehyde
CID 170482144
2,6-dimethylbenzaldehyde
CID 159545887
2-(difluoromethoxy)-3,6-dimethylbenzaldehyde
CID 131525568
4,5,6,7-tetrafluoro-1-naphthalen-1-ylnaphthalene-2,3-dicarbaldehyde
CID 138986975
4-(5,6,7-trifluoronaphthalen-2-yl)benzaldehyde
CID 118001113
2-ethyl-5,7-difluoronaphthalene-1-carbaldehyde
CID 86627294
2-(3-aminoprop-1-enyl)-6-fluoro-3-methylbenzaldehyde
CID 169463814

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trifluoro-2-methylnaphthalene-1-carbaldehyde?
The IUPAC name of 5,6,7-trifluoro-2-methylnaphthalene-1-carbaldehyde (CID 86627307) is 5,6,7-trifluoro-2-methylnaphthalene-1-carbaldehyde.
What is the SMILES notation for 5,6,7-trifluoro-2-methylnaphthalene-1-carbaldehyde?
The canonical SMILES for 5,6,7-trifluoro-2-methylnaphthalene-1-carbaldehyde is Cc1ccc2c(F)c(F)c(F)cc2c1C=O.
What is the InChIKey of 5,6,7-trifluoro-2-methylnaphthalene-1-carbaldehyde?
The InChIKey is QAOXCDBNKDYAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3O/c1-6-2-3-7-8(9(6)5-16)4-10(13)12(15)11(7)14/h2-5H,1H3.
What are the key properties of 5,6,7-trifluoro-2-methylnaphthalene-1-carbaldehyde?
5,6,7-trifluoro-2-methylnaphthalene-1-carbaldehyde has a molecular weight of 224.18 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trifluoro-2-methylnaphthalene-1-carbaldehyde is sourced from PubChem (CID 86627307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).