4-(trifluoromethyl)-1-(2,2,3-trimethylbutoxy)cyclohexane-1-carbaldehyde

C15H25F3O2 — CID 134199491

IUPAC4-(trifluoromethyl)-1-(2,2,3-trimethylbutoxy)cyclohexane-1-carbaldehyde
SMILESCC(C)C(C)(C)COC1(C=O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3O2/c1-11(2)13(3,4)10-20-14(9-19)7-5-12(6-8-14)15(16,17)18/h9,11-12H,5-8,10H2,1-4H3
InChIKeyZSYRBPKPELZHBH-UHFFFAOYSA-N
MW294.36 g/mol
LogP4.38
Rot. Bonds5

About 4-(trifluoromethyl)-1-(2,2,3-trimethylbutoxy)cyclohexane-1-carbaldehyde

4-(trifluoromethyl)-1-(2,2,3-trimethylbutoxy)cyclohexane-1-carbaldehyde (PubChem CID 134199491) has the molecular formula C15H25F3O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1-(2,2,3-trimethylbutoxy)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-(trifluoromethyl)-1-(2,2,3-trimethylbutoxy)cyclohexane-1-carbaldehyde
PubChem CID134199491
Molecular FormulaC15H25F3O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name4-(trifluoromethyl)-1-(2,2,3-trimethylbutoxy)cyclohexane-1-carbaldehyde
SMILESCC(C)C(C)(C)COC1(C=O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H25F3O2/c1-11(2)13(3,4)10-20-14(9-19)7-5-12(6-8-14)15(16,17)18/h9,11-12H,5-8,10H2,1-4H3
InChIKeyZSYRBPKPELZHBH-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 54.38
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

1-Methoxy-4-methylcyclohexane-1-carbaldehyde
CID 130591098
1-Methoxy-4,4-dimethylcyclohexane-1-carbaldehyde
CID 130591102
4,4-Difluoro-1-methoxycyclohexane-1-carbaldehyde
CID 155821930
1-(2-Methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carbaldehyde
CID 146330728
1-Butoxy-4-(trifluoromethyl)cyclohexane-1-carbaldehyde
CID 155200981
1-(2,2-Dimethylbutoxy)-4-(trifluoromethyl)cyclohexane-1-carbaldehyde
CID 163715171
2-Cyclohexyl-2-ethoxy-3,3,3-trifluoropropanal
CID 10014423
2-Cyclohexyl-2-ethoxy-3,3,4,4,4-pentafluorobutanal
CID 10266098
2-Cyclohexyl-2-ethoxy-3,3,4,4,5,5,5-heptafluoropentanal
CID 10472285
1-(1-Ethoxy-4-methylcyclohexyl)-5,5,5-trifluoropentan-1-one
CID 113560154
1-(1-Ethoxy-4-methylcyclohexyl)-4,4,4-trifluorobutan-1-one
CID 116749331
1-(1-Ethoxy-4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-one
CID 116750020

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1-(2,2,3-trimethylbutoxy)cyclohexane-1-carbaldehyde?
The IUPAC name of 4-(trifluoromethyl)-1-(2,2,3-trimethylbutoxy)cyclohexane-1-carbaldehyde (CID 134199491) is 4-(trifluoromethyl)-1-(2,2,3-trimethylbutoxy)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-(trifluoromethyl)-1-(2,2,3-trimethylbutoxy)cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-(trifluoromethyl)-1-(2,2,3-trimethylbutoxy)cyclohexane-1-carbaldehyde is CC(C)C(C)(C)COC1(C=O)CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-(trifluoromethyl)-1-(2,2,3-trimethylbutoxy)cyclohexane-1-carbaldehyde?
The InChIKey is ZSYRBPKPELZHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3O2/c1-11(2)13(3,4)10-20-14(9-19)7-5-12(6-8-14)15(16,17)18/h9,11-12H,5-8,10H2,1-4H3.
What are the key properties of 4-(trifluoromethyl)-1-(2,2,3-trimethylbutoxy)cyclohexane-1-carbaldehyde?
4-(trifluoromethyl)-1-(2,2,3-trimethylbutoxy)cyclohexane-1-carbaldehyde has a molecular weight of 294.36 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1-(2,2,3-trimethylbutoxy)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 134199491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).