4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexene-1-carbaldehyde

C16H17F3O — CID 139554300

IUPAC4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexene-1-carbaldehyde
SMILESCC1(C)CCC(C=O)=C(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C16H17F3O/c1-15(2)8-7-11(10-20)13(9-15)12-5-3-4-6-14(12)16(17,18)19/h3-6,10H,7-9H2,1-2H3
InChIKeyBPSIAKSWIYZDKZ-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.87
Rot. Bonds2

About 4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexene-1-carbaldehyde

4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexene-1-carbaldehyde (PubChem CID 139554300) has the molecular formula C16H17F3O and a molecular weight of 282.31 g/mol. Its IUPAC name is 4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexene-1-carbaldehyde
PubChem CID139554300
Molecular FormulaC16H17F3O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexene-1-carbaldehyde
SMILESCC1(C)CCC(C=O)=C(c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C16H17F3O/c1-15(2)8-7-11(10-20)13(9-15)12-5-3-4-6-14(12)16(17,18)19/h3-6,10H,7-9H2,1-2H3
InChIKeyBPSIAKSWIYZDKZ-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzaldehyde
CID 134617334
6-methoxy-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 134631360
1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carbaldehyde
CID 59680954
6-[2-methyl-3-(trifluoromethyl)phenyl]-2-azaspiro[3.4]oct-5-ene-2-carbaldehyde
CID 168874899
2-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbaldehyde
CID 105485231
4-[2-(trifluoromethyl)phenyl]-3H-1,3-thiazol-2-one
CID 43286788
1-tert-butyl-3-[2-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 43324225
2-[2-(4,4-dimethylcyclohexen-1-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 70874588
1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene
CID 158879468
5-chloro-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole-4-carbaldehyde
CID 131866781
4-[2-(trifluoromethyl)phenyl]pyrimidine-5-carbaldehyde
CID 118818673

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexene-1-carbaldehyde?
The IUPAC name of 4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexene-1-carbaldehyde (CID 139554300) is 4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexene-1-carbaldehyde.
What is the SMILES notation for 4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexene-1-carbaldehyde?
The canonical SMILES for 4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexene-1-carbaldehyde is CC1(C)CCC(C=O)=C(c2ccccc2C(F)(F)F)C1.
What is the InChIKey of 4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexene-1-carbaldehyde?
The InChIKey is BPSIAKSWIYZDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3O/c1-15(2)8-7-11(10-20)13(9-15)12-5-3-4-6-14(12)16(17,18)19/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexene-1-carbaldehyde?
4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexene-1-carbaldehyde has a molecular weight of 282.31 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[2-(trifluoromethyl)phenyl]cyclohexene-1-carbaldehyde is sourced from PubChem (CID 139554300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).