2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde

C11H11F3O2 — CID 157049199

IUPAC2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde
SMILESCC(C)Oc1ccc(C(F)(F)F)cc1C=O
InChIInChI=1S/C11H11F3O2/c1-7(2)16-10-4-3-9(11(12,13)14)5-8(10)6-15/h3-7H,1-2H3
InChIKeyPDMAWIKJLKURCI-UHFFFAOYSA-N
MW232.20 g/mol
LogP3.31
Rot. Bonds3

About 2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde

2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde (PubChem CID 157049199) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde
PubChem CID157049199
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde
SMILESCC(C)Oc1ccc(C(F)(F)F)cc1C=O
InChIInChI=1S/C11H11F3O2/c1-7(2)16-10-4-3-9(11(12,13)14)5-8(10)6-15/h3-7H,1-2H3
InChIKeyPDMAWIKJLKURCI-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 53.31
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-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 124704375
2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride
CID 2894791
4-(trifluoromethyl)phthalaldehyde
CID 23496648
5-methylsulfanyl-2-propan-2-yloxybenzaldehyde
CID 164894912
1-nitro-2-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 125116617
1,1,1-trifluoro-N-(3-formyl-4-propan-2-yloxyphenyl)-N-methylmethanesulfonamide
CID 19696662
[2-formyl-4-(trifluoromethyl)phenyl]oxidanium
CID 147170716
2-propan-2-yloxy-5-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650735
2-(2-ethoxyphenoxy)-5-(trifluoromethyl)benzaldehyde
CID 155416967
2-methyl-4-(trifluoromethyl)benzaldehyde
CID 23340632
[2-formyl-4-(trifluoromethyl)phenyl]boronic acid
CID 53216333
5-(1,1-difluoroethyl)-2-(trifluoromethoxy)benzaldehyde
CID 18677608

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde (CID 157049199) is 2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde is CC(C)Oc1ccc(C(F)(F)F)cc1C=O.
What is the InChIKey of 2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde?
The InChIKey is PDMAWIKJLKURCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-7(2)16-10-4-3-9(11(12,13)14)5-8(10)6-15/h3-7H,1-2H3.
What are the key properties of 2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde?
2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde has a molecular weight of 232.20 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 157049199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).