3-(1,1,2,2-tetrafluoroethyl)benzaldehyde

C9H6F4O — CID 84722173

IUPAC3-(1,1,2,2-tetrafluoroethyl)benzaldehyde
SMILESO=Cc1cccc(C(F)(F)C(F)F)c1
InChIInChI=1S/C9H6F4O/c10-8(11)9(12,13)7-3-1-2-6(4-7)5-14/h1-5,8H
InChIKeyUIGZPAWZNJUENP-UHFFFAOYSA-N
MW206.14 g/mol
LogP2.86
Rot. Bonds3

About 3-(1,1,2,2-tetrafluoroethyl)benzaldehyde

3-(1,1,2,2-tetrafluoroethyl)benzaldehyde (PubChem CID 84722173) has the molecular formula C9H6F4O and a molecular weight of 206.14 g/mol. Its IUPAC name is 3-(1,1,2,2-tetrafluoroethyl)benzaldehyde.

Molecular Properties

Compound Name3-(1,1,2,2-tetrafluoroethyl)benzaldehyde
PubChem CID84722173
Molecular FormulaC9H6F4O
Molecular Weight206.14 g/mol
Exact Mass206.04
IUPAC Name3-(1,1,2,2-tetrafluoroethyl)benzaldehyde
SMILESO=Cc1cccc(C(F)(F)C(F)F)c1
InChIInChI=1S/C9H6F4O/c10-8(11)9(12,13)7-3-1-2-6(4-7)5-14/h1-5,8H
InChIKeyUIGZPAWZNJUENP-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.14
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2-tetrafluoroethyl)benzaldehyde?
The IUPAC name of 3-(1,1,2,2-tetrafluoroethyl)benzaldehyde (CID 84722173) is 3-(1,1,2,2-tetrafluoroethyl)benzaldehyde.
What is the SMILES notation for 3-(1,1,2,2-tetrafluoroethyl)benzaldehyde?
The canonical SMILES for 3-(1,1,2,2-tetrafluoroethyl)benzaldehyde is O=Cc1cccc(C(F)(F)C(F)F)c1.
What is the InChIKey of 3-(1,1,2,2-tetrafluoroethyl)benzaldehyde?
The InChIKey is UIGZPAWZNJUENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4O/c10-8(11)9(12,13)7-3-1-2-6(4-7)5-14/h1-5,8H.
What are the key properties of 3-(1,1,2,2-tetrafluoroethyl)benzaldehyde?
3-(1,1,2,2-tetrafluoroethyl)benzaldehyde has a molecular weight of 206.14 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2-tetrafluoroethyl)benzaldehyde is sourced from PubChem (CID 84722173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).