4-(1,2,2-trifluoroethenoxy)benzaldehyde

C9H5F3O2 — CID 22227324

IUPAC4-(1,2,2-trifluoroethenoxy)benzaldehyde
SMILESO=Cc1ccc(OC(F)=C(F)F)cc1
InChIInChI=1S/C9H5F3O2/c10-8(11)9(12)14-7-3-1-6(5-13)2-4-7/h1-5H
InChIKeyDFPRRKSVQKNEFT-UHFFFAOYSA-N
MW202.13 g/mol
LogP2.91
Rot. Bonds3

About 4-(1,2,2-trifluoroethenoxy)benzaldehyde

4-(1,2,2-trifluoroethenoxy)benzaldehyde (PubChem CID 22227324) has the molecular formula C9H5F3O2 and a molecular weight of 202.13 g/mol. Its IUPAC name is 4-(1,2,2-trifluoroethenoxy)benzaldehyde.

Molecular Properties

Compound Name4-(1,2,2-trifluoroethenoxy)benzaldehyde
PubChem CID22227324
Molecular FormulaC9H5F3O2
Molecular Weight202.13 g/mol
Exact Mass202.02
IUPAC Name4-(1,2,2-trifluoroethenoxy)benzaldehyde
SMILESO=Cc1ccc(OC(F)=C(F)F)cc1
InChIInChI=1S/C9H5F3O2/c10-8(11)9(12)14-7-3-1-6(5-13)2-4-7/h1-5H
InChIKeyDFPRRKSVQKNEFT-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-5-[4-(1,2,2-trifluoroethenoxy)phenyl]penta-1,4-dien-3-one
CID 54520299
4-[3-oxo-5-[4-(1,2,2-trifluoroethenoxy)phenyl]penta-1,4-dienyl]benzoic acid
CID 54190482
4-(1,2,2-trifluoroethenoxy)benzoate
CID 7171801
(4-formylphenyl) 2-cyanoacetate
CID 71409107
(4-formylphenyl) 2-(4-formylphenyl)-2-oxoacetate
CID 91308324
1-(4-aminophenyl)-3-[4-(1,2,2-trifluoroethenoxy)phenyl]prop-2-en-1-one
CID 57066483
1-(4-acetylphenyl)-3-[4-(1,2,2-trifluoroethenoxy)phenyl]prop-2-en-1-one
CID 57234047
1,3,5-tris(1,2,2-trifluoroethenoxy)benzene
CID 122715531
4-(4-formylphenoxy)-4-oxobutanoic acid
CID 71362683
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
4-(difluoromethoxy)benzaldehyde
CID 2736986
4-(4-fluorophenoxy)benzaldehyde
CID 3856802

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,2-trifluoroethenoxy)benzaldehyde?
The IUPAC name of 4-(1,2,2-trifluoroethenoxy)benzaldehyde (CID 22227324) is 4-(1,2,2-trifluoroethenoxy)benzaldehyde.
What is the SMILES notation for 4-(1,2,2-trifluoroethenoxy)benzaldehyde?
The canonical SMILES for 4-(1,2,2-trifluoroethenoxy)benzaldehyde is O=Cc1ccc(OC(F)=C(F)F)cc1.
What is the InChIKey of 4-(1,2,2-trifluoroethenoxy)benzaldehyde?
The InChIKey is DFPRRKSVQKNEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3O2/c10-8(11)9(12)14-7-3-1-6(5-13)2-4-7/h1-5H.
What are the key properties of 4-(1,2,2-trifluoroethenoxy)benzaldehyde?
4-(1,2,2-trifluoroethenoxy)benzaldehyde has a molecular weight of 202.13 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,2-trifluoroethenoxy)benzaldehyde is sourced from PubChem (CID 22227324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).