4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde

C11H8ClF3O2 — CID 55206244

IUPAC4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde
SMILESC=C(Cl)COc1ccc(C=O)cc1C(F)(F)F
InChIInChI=1S/C11H8ClF3O2/c1-7(12)6-17-10-3-2-8(5-16)4-9(10)11(13,14)15/h2-5H,1,6H2
InChIKeyIQRPDDHQUIYRAF-UHFFFAOYSA-N
MW264.63 g/mol
LogP3.65
Rot. Bonds4

About 4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde

4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde (PubChem CID 55206244) has the molecular formula C11H8ClF3O2 and a molecular weight of 264.63 g/mol. Its IUPAC name is 4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde
PubChem CID55206244
Molecular FormulaC11H8ClF3O2
Molecular Weight264.63 g/mol
Exact Mass264.02
IUPAC Name4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde
SMILESC=C(Cl)COc1ccc(C=O)cc1C(F)(F)F
InChIInChI=1S/C11H8ClF3O2/c1-7(12)6-17-10-3-2-8(5-16)4-9(10)11(13,14)15/h2-5H,1,6H2
InChIKeyIQRPDDHQUIYRAF-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.63
LogP ≤ 53.65
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-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide
CID 63320694
3-bromo-4-(2-chloroprop-2-enoxy)benzaldehyde
CID 60644525
methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate
CID 63320737
4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320389
N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide
CID 55205672
4-(4-hydroxybutoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320609
2-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 63320739
4-(3-methoxypropoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320520
4-pentoxy-3-(trifluoromethyl)benzaldehyde
CID 55218912
[4-formyl-2-(trifluoromethyl)phenyl] dihydrogen phosphate
CID 139533143
4-[[4-(fluoromethyl)phenyl]methoxy]-3-(trifluoromethyl)benzaldehyde
CID 89022635
3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide
CID 63320392

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde?
The IUPAC name of 4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde (CID 55206244) is 4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde is C=C(Cl)COc1ccc(C=O)cc1C(F)(F)F.
What is the InChIKey of 4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde?
The InChIKey is IQRPDDHQUIYRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3O2/c1-7(12)6-17-10-3-2-8(5-16)4-9(10)11(13,14)15/h2-5H,1,6H2.
What are the key properties of 4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde?
4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde has a molecular weight of 264.63 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 55206244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).