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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Related Compounds

2-amino-1-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]propan-1-ol
CID 68852821
[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]cyanamide
CID 86615050
[(1R,2S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methylamino]propyl]carbamic acid
CID 87637910
cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830
cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753522
1-(dimethoxymethyl)-2-fluoro-4-(trifluoromethyl)benzene;2-fluoro-4-(trifluoromethyl)benzaldehyde
CID 158629586
(4R,5S)-1-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methyl]-5-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 89199049
(4R,5R)-5-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
CID 71024936
2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde
CID 157049199
(1R,2S)-2-amino-1-cyclohexyl-2-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol
CID 171271961
tert-butyl N-[(2S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[[2-[cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]methylamino]propyl]carbamate
CID 143769459
cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751758

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).