3-propan-2-yloxy-4-(trifluoromethoxy)benzaldehyde

C11H11F3O3 — CID 164893527

IUPAC3-propan-2-yloxy-4-(trifluoromethoxy)benzaldehyde
SMILESCC(C)Oc1cc(C=O)ccc1OC(F)(F)F
InChIInChI=1S/C11H11F3O3/c1-7(2)16-10-5-8(6-15)3-4-9(10)17-11(12,13)14/h3-7H,1-2H3
InChIKeyGWPFPCROAKOSSL-UHFFFAOYSA-N
MW248.20 g/mol
LogP3.18
Rot. Bonds4

About 3-propan-2-yloxy-4-(trifluoromethoxy)benzaldehyde

3-propan-2-yloxy-4-(trifluoromethoxy)benzaldehyde (PubChem CID 164893527) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 3-propan-2-yloxy-4-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name3-propan-2-yloxy-4-(trifluoromethoxy)benzaldehyde
PubChem CID164893527
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name3-propan-2-yloxy-4-(trifluoromethoxy)benzaldehyde
SMILESCC(C)Oc1cc(C=O)ccc1OC(F)(F)F
InChIInChI=1S/C11H11F3O3/c1-7(2)16-10-5-8(6-15)3-4-9(10)17-11(12,13)14/h3-7H,1-2H3
InChIKeyGWPFPCROAKOSSL-UHFFFAOYSA-N
XLogP3.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde
CID 21187955
3-methyl-4-(trifluoromethoxy)benzaldehyde
CID 88929764
4-acetyl-3-(trifluoromethoxy)benzaldehyde
CID 170909674
3-propan-2-yloxy-4-(trifluoromethoxy)benzoic acid
CID 164893526
2-(trifluoromethoxy)terephthalaldehyde
CID 170999220
4-bromo-3-(trifluoromethoxy)benzaldehyde
CID 23497475
3-bromo-4-propan-2-yloxybenzaldehyde
CID 3832843
[3-propan-2-yloxy-4-(trifluoromethoxy)phenyl]boronic acid
CID 74788670
3,4-bis[(2-methylpropan-2-yl)oxy]benzaldehyde
CID 129155644
4-phenyl-3-propan-2-yloxybenzaldehyde
CID 91131108
4-methoxy-3-(3-methylbutan-2-yloxy)benzaldehyde
CID 117051953
3-(3,4-dimethylphenyl)-4-(trifluoromethoxy)benzaldehyde
CID 172879620

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-4-(trifluoromethoxy)benzaldehyde?
The IUPAC name of 3-propan-2-yloxy-4-(trifluoromethoxy)benzaldehyde (CID 164893527) is 3-propan-2-yloxy-4-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for 3-propan-2-yloxy-4-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for 3-propan-2-yloxy-4-(trifluoromethoxy)benzaldehyde is CC(C)Oc1cc(C=O)ccc1OC(F)(F)F.
What is the InChIKey of 3-propan-2-yloxy-4-(trifluoromethoxy)benzaldehyde?
The InChIKey is GWPFPCROAKOSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-7(2)16-10-5-8(6-15)3-4-9(10)17-11(12,13)14/h3-7H,1-2H3.
What are the key properties of 3-propan-2-yloxy-4-(trifluoromethoxy)benzaldehyde?
3-propan-2-yloxy-4-(trifluoromethoxy)benzaldehyde has a molecular weight of 248.20 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-4-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 164893527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).