5-bromo-2-(cyclohexylmethoxy)-3-(trifluoromethyl)benzaldehyde

C15H16BrF3O2 — CID 162368242

IUPAC5-bromo-2-(cyclohexylmethoxy)-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(Br)cc(C(F)(F)F)c1OCC1CCCCC1
InChIInChI=1S/C15H16BrF3O2/c16-12-6-11(8-20)14(13(7-12)15(17,18)19)21-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKeyPWGZWHJHCXBUMY-UHFFFAOYSA-N
MW365.19 g/mol
LogP5.24
Rot. Bonds4

About 5-bromo-2-(cyclohexylmethoxy)-3-(trifluoromethyl)benzaldehyde

5-bromo-2-(cyclohexylmethoxy)-3-(trifluoromethyl)benzaldehyde (PubChem CID 162368242) has the molecular formula C15H16BrF3O2 and a molecular weight of 365.19 g/mol. Its IUPAC name is 5-bromo-2-(cyclohexylmethoxy)-3-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-(cyclohexylmethoxy)-3-(trifluoromethyl)benzaldehyde
PubChem CID162368242
Molecular FormulaC15H16BrF3O2
Molecular Weight365.19 g/mol
Exact Mass364.03
IUPAC Name5-bromo-2-(cyclohexylmethoxy)-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(Br)cc(C(F)(F)F)c1OCC1CCCCC1
InChIInChI=1S/C15H16BrF3O2/c16-12-6-11(8-20)14(13(7-12)15(17,18)19)21-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2
InChIKeyPWGZWHJHCXBUMY-UHFFFAOYSA-N
XLogP5.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.19
LogP ≤ 55.24
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-bromo-2-(cyclohexylmethoxy)-3-(trifluoromethyl)benzaldehyde?
The IUPAC name of 5-bromo-2-(cyclohexylmethoxy)-3-(trifluoromethyl)benzaldehyde (CID 162368242) is 5-bromo-2-(cyclohexylmethoxy)-3-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 5-bromo-2-(cyclohexylmethoxy)-3-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 5-bromo-2-(cyclohexylmethoxy)-3-(trifluoromethyl)benzaldehyde is O=Cc1cc(Br)cc(C(F)(F)F)c1OCC1CCCCC1.
What is the InChIKey of 5-bromo-2-(cyclohexylmethoxy)-3-(trifluoromethyl)benzaldehyde?
The InChIKey is PWGZWHJHCXBUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF3O2/c16-12-6-11(8-20)14(13(7-12)15(17,18)19)21-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2.
What are the key properties of 5-bromo-2-(cyclohexylmethoxy)-3-(trifluoromethyl)benzaldehyde?
5-bromo-2-(cyclohexylmethoxy)-3-(trifluoromethyl)benzaldehyde has a molecular weight of 365.19 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cyclohexylmethoxy)-3-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 162368242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).