3,3,3-trifluoro-2-(6-methoxynaphthalen-2-yl)propanal

C14H11F3O2 — CID 10659512

IUPAC3,3,3-trifluoro-2-(6-methoxynaphthalen-2-yl)propanal
SMILESCOc1ccc2cc(C(C=O)C(F)(F)F)ccc2c1
InChIInChI=1S/C14H11F3O2/c1-19-12-5-4-9-6-11(3-2-10(9)7-12)13(8-18)14(15,16)17/h2-8,13H,1H3
InChIKeyTWFMCSSMMXUOIC-UHFFFAOYSA-N
MW268.23 g/mol
LogP3.69
Rot. Bonds3

About 3,3,3-trifluoro-2-(6-methoxynaphthalen-2-yl)propanal

3,3,3-trifluoro-2-(6-methoxynaphthalen-2-yl)propanal (PubChem CID 10659512) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(6-methoxynaphthalen-2-yl)propanal.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(6-methoxynaphthalen-2-yl)propanal
PubChem CID10659512
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name3,3,3-trifluoro-2-(6-methoxynaphthalen-2-yl)propanal
SMILESCOc1ccc2cc(C(C=O)C(F)(F)F)ccc2c1
InChIInChI=1S/C14H11F3O2/c1-19-12-5-4-9-6-11(3-2-10(9)7-12)13(8-18)14(15,16)17/h2-8,13H,1H3
InChIKeyTWFMCSSMMXUOIC-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(6-methoxynaphthalen-2-yl)propanal?
The IUPAC name of 3,3,3-trifluoro-2-(6-methoxynaphthalen-2-yl)propanal (CID 10659512) is 3,3,3-trifluoro-2-(6-methoxynaphthalen-2-yl)propanal.
What is the SMILES notation for 3,3,3-trifluoro-2-(6-methoxynaphthalen-2-yl)propanal?
The canonical SMILES for 3,3,3-trifluoro-2-(6-methoxynaphthalen-2-yl)propanal is COc1ccc2cc(C(C=O)C(F)(F)F)ccc2c1.
What is the InChIKey of 3,3,3-trifluoro-2-(6-methoxynaphthalen-2-yl)propanal?
The InChIKey is TWFMCSSMMXUOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c1-19-12-5-4-9-6-11(3-2-10(9)7-12)13(8-18)14(15,16)17/h2-8,13H,1H3.
What are the key properties of 3,3,3-trifluoro-2-(6-methoxynaphthalen-2-yl)propanal?
3,3,3-trifluoro-2-(6-methoxynaphthalen-2-yl)propanal has a molecular weight of 268.23 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(6-methoxynaphthalen-2-yl)propanal is sourced from PubChem (CID 10659512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).