2,3-bis(2,2,2-trifluoroethoxy)benzaldehyde

C11H8F6O3 — CID 154667088

IUPAC2,3-bis(2,2,2-trifluoroethoxy)benzaldehyde
SMILESO=Cc1cccc(OCC(F)(F)F)c1OCC(F)(F)F
InChIInChI=1S/C11H8F6O3/c12-10(13,14)5-19-8-3-1-2-7(4-18)9(8)20-6-11(15,16)17/h1-4H,5-6H2
InChIKeyJNRGUFMGRCISQQ-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.38
Rot. Bonds5

About 2,3-bis(2,2,2-trifluoroethoxy)benzaldehyde

2,3-bis(2,2,2-trifluoroethoxy)benzaldehyde (PubChem CID 154667088) has the molecular formula C11H8F6O3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 2,3-bis(2,2,2-trifluoroethoxy)benzaldehyde.

Molecular Properties

Compound Name2,3-bis(2,2,2-trifluoroethoxy)benzaldehyde
PubChem CID154667088
Molecular FormulaC11H8F6O3
Molecular Weight302.17 g/mol
Exact Mass302.04
IUPAC Name2,3-bis(2,2,2-trifluoroethoxy)benzaldehyde
SMILESO=Cc1cccc(OCC(F)(F)F)c1OCC(F)(F)F
InChIInChI=1S/C11H8F6O3/c12-10(13,14)5-19-8-3-1-2-7(4-18)9(8)20-6-11(15,16)17/h1-4H,5-6H2
InChIKeyJNRGUFMGRCISQQ-UHFFFAOYSA-N
XLogP3.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.38
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

3-ethoxy-2-[3-(2,2,2-trifluoroethoxy)propoxy]benzaldehyde
CID 61491424
2,3-bis(2-fluoroethoxy)benzaldehyde
CID 15058684
1-[[2,3-bis(2,2,2-trifluoroethoxy)phenyl]disulfanyl]-2,3-bis(2,2,2-trifluoroethoxy)benzene
CID 87534092
3-(2-ethoxy-6-formylphenoxy)-2,2-dimethylpropanoic acid
CID 79624513
2,2,2-trifluoroethyl 2-(2-formylphenoxy)acetate
CID 87891614
3-bromo-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzaldehyde
CID 54962323
2-(2,2,3,3-tetrafluoropropoxy)benzaldehyde
CID 21071395
3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
CID 43174565
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
3-ethoxy-2-(2-methylidenebutoxy)benzaldehyde
CID 66044765
2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde
CID 43366496
2,6-bis(2,2,2-trifluoroethoxy)benzoic acid
CID 21493157

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2,2,2-trifluoroethoxy)benzaldehyde?
The IUPAC name of 2,3-bis(2,2,2-trifluoroethoxy)benzaldehyde (CID 154667088) is 2,3-bis(2,2,2-trifluoroethoxy)benzaldehyde.
What is the SMILES notation for 2,3-bis(2,2,2-trifluoroethoxy)benzaldehyde?
The canonical SMILES for 2,3-bis(2,2,2-trifluoroethoxy)benzaldehyde is O=Cc1cccc(OCC(F)(F)F)c1OCC(F)(F)F.
What is the InChIKey of 2,3-bis(2,2,2-trifluoroethoxy)benzaldehyde?
The InChIKey is JNRGUFMGRCISQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6O3/c12-10(13,14)5-19-8-3-1-2-7(4-18)9(8)20-6-11(15,16)17/h1-4H,5-6H2.
What are the key properties of 2,3-bis(2,2,2-trifluoroethoxy)benzaldehyde?
2,3-bis(2,2,2-trifluoroethoxy)benzaldehyde has a molecular weight of 302.17 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2,2,2-trifluoroethoxy)benzaldehyde is sourced from PubChem (CID 154667088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).