4-(cyclohexylmethoxy)-2-(trifluoromethyl)benzaldehyde

C15H17F3O2 — CID 175665804

IUPAC4-(cyclohexylmethoxy)-2-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(OCC2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C15H17F3O2/c16-15(17,18)14-8-13(7-6-12(14)9-19)20-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKeyXFUBLVGEWCBGDF-UHFFFAOYSA-N
MW286.29 g/mol
LogP4.48
Rot. Bonds4

About 4-(cyclohexylmethoxy)-2-(trifluoromethyl)benzaldehyde

4-(cyclohexylmethoxy)-2-(trifluoromethyl)benzaldehyde (PubChem CID 175665804) has the molecular formula C15H17F3O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-2-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-2-(trifluoromethyl)benzaldehyde
PubChem CID175665804
Molecular FormulaC15H17F3O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Name4-(cyclohexylmethoxy)-2-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(OCC2CCCCC2)cc1C(F)(F)F
InChIInChI=1S/C15H17F3O2/c16-15(17,18)14-8-13(7-6-12(14)9-19)20-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2
InChIKeyXFUBLVGEWCBGDF-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 54.48
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

4-(cyclopropylmethoxy)-1-ethenyl-2-(trifluoromethyl)benzene
CID 175665814
(E)-3-[4-(cyclopropylmethoxy)-2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 175665845
5-bromo-2-(cyclohexylmethoxy)-3-(trifluoromethyl)benzaldehyde
CID 162368242
3-(cycloheptylmethoxy)benzaldehyde
CID 86637613
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-(trifluoromethyl)benzaldehyde
CID 115942150
4-(cyclopropylmethoxy)-1-nitro-2-(trifluoromethyl)benzene
CID 22501934
2-(cyclobutylmethoxy)-4-propoxybenzaldehyde
CID 65459200
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
3-(cyclobutylmethoxy)benzaldehyde
CID 58027526
3-(cyclooctylmethoxy)benzoic acid
CID 58347494
[4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid
CID 65203320
3-(cyclohexylmethoxy)-2-fluorobenzaldehyde
CID 58423208

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-2-(trifluoromethyl)benzaldehyde?
The IUPAC name of 4-(cyclohexylmethoxy)-2-(trifluoromethyl)benzaldehyde (CID 175665804) is 4-(cyclohexylmethoxy)-2-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 4-(cyclohexylmethoxy)-2-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 4-(cyclohexylmethoxy)-2-(trifluoromethyl)benzaldehyde is O=Cc1ccc(OCC2CCCCC2)cc1C(F)(F)F.
What is the InChIKey of 4-(cyclohexylmethoxy)-2-(trifluoromethyl)benzaldehyde?
The InChIKey is XFUBLVGEWCBGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O2/c16-15(17,18)14-8-13(7-6-12(14)9-19)20-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2.
What are the key properties of 4-(cyclohexylmethoxy)-2-(trifluoromethyl)benzaldehyde?
4-(cyclohexylmethoxy)-2-(trifluoromethyl)benzaldehyde has a molecular weight of 286.29 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-2-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 175665804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).