5-(trifluoromethoxy)naphthalene-2-carbaldehyde

C12H7F3O2 — CID 118841494

IUPAC5-(trifluoromethoxy)naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2c(OC(F)(F)F)cccc2c1
InChIInChI=1S/C12H7F3O2/c13-12(14,15)17-11-3-1-2-9-6-8(7-16)4-5-10(9)11/h1-7H
InChIKeyCTLITDXCKPBZQS-UHFFFAOYSA-N
MW240.18 g/mol
LogP3.55
Rot. Bonds2

About 5-(trifluoromethoxy)naphthalene-2-carbaldehyde

5-(trifluoromethoxy)naphthalene-2-carbaldehyde (PubChem CID 118841494) has the molecular formula C12H7F3O2 and a molecular weight of 240.18 g/mol. Its IUPAC name is 5-(trifluoromethoxy)naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name5-(trifluoromethoxy)naphthalene-2-carbaldehyde
PubChem CID118841494
Molecular FormulaC12H7F3O2
Molecular Weight240.18 g/mol
Exact Mass240.04
IUPAC Name5-(trifluoromethoxy)naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2c(OC(F)(F)F)cccc2c1
InChIInChI=1S/C12H7F3O2/c13-12(14,15)17-11-3-1-2-9-6-8(7-16)4-5-10(9)11/h1-7H
InChIKeyCTLITDXCKPBZQS-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 53.55
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 5-(trifluoromethoxy)naphthalene-2-carbaldehyde?
The IUPAC name of 5-(trifluoromethoxy)naphthalene-2-carbaldehyde (CID 118841494) is 5-(trifluoromethoxy)naphthalene-2-carbaldehyde.
What is the SMILES notation for 5-(trifluoromethoxy)naphthalene-2-carbaldehyde?
The canonical SMILES for 5-(trifluoromethoxy)naphthalene-2-carbaldehyde is O=Cc1ccc2c(OC(F)(F)F)cccc2c1.
What is the InChIKey of 5-(trifluoromethoxy)naphthalene-2-carbaldehyde?
The InChIKey is CTLITDXCKPBZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3O2/c13-12(14,15)17-11-3-1-2-9-6-8(7-16)4-5-10(9)11/h1-7H.
What are the key properties of 5-(trifluoromethoxy)naphthalene-2-carbaldehyde?
5-(trifluoromethoxy)naphthalene-2-carbaldehyde has a molecular weight of 240.18 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)naphthalene-2-carbaldehyde is sourced from PubChem (CID 118841494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).