2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)benzaldehyde

C16H19F3O2 — CID 58968699

IUPAC2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)benzaldehyde
SMILESCOC(c1ccc(C(F)(F)F)cc1C=O)C1CCCCC1
InChIInChI=1S/C16H19F3O2/c1-21-15(11-5-3-2-4-6-11)14-8-7-13(16(17,18)19)9-12(14)10-20/h7-11,15H,2-6H2,1H3
InChIKeyYFPMAVOGWBQPPM-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.79
Rot. Bonds4

About 2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)benzaldehyde

2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)benzaldehyde (PubChem CID 58968699) has the molecular formula C16H19F3O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)benzaldehyde
PubChem CID58968699
Molecular FormulaC16H19F3O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)benzaldehyde
SMILESCOC(c1ccc(C(F)(F)F)cc1C=O)C1CCCCC1
InChIInChI=1S/C16H19F3O2/c1-21-15(11-5-3-2-4-6-11)14-8-7-13(16(17,18)19)9-12(14)10-20/h7-11,15H,2-6H2,1H3
InChIKeyYFPMAVOGWBQPPM-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.79
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 2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)benzaldehyde (CID 58968699) is 2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)benzaldehyde is COC(c1ccc(C(F)(F)F)cc1C=O)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)benzaldehyde?
The InChIKey is YFPMAVOGWBQPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3O2/c1-21-15(11-5-3-2-4-6-11)14-8-7-13(16(17,18)19)9-12(14)10-20/h7-11,15H,2-6H2,1H3.
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)benzaldehyde?
2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)benzaldehyde has a molecular weight of 300.32 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 58968699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).