2-(2,2,3,3-tetrafluorocyclobutyl)acetaldehyde

C6H6F4O — CID 168979640

IUPAC2-(2,2,3,3-tetrafluorocyclobutyl)acetaldehyde
SMILESO=CCC1CC(F)(F)C1(F)F
InChIInChI=1S/C6H6F4O/c7-5(8)3-4(1-2-11)6(5,9)10/h2,4H,1,3H2
InChIKeyVOBSSBDSECVBSP-UHFFFAOYSA-N
MW170.10 g/mol
LogP1.87
Rot. Bonds2

About 2-(2,2,3,3-tetrafluorocyclobutyl)acetaldehyde

2-(2,2,3,3-tetrafluorocyclobutyl)acetaldehyde (PubChem CID 168979640) has the molecular formula C6H6F4O and a molecular weight of 170.10 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluorocyclobutyl)acetaldehyde.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluorocyclobutyl)acetaldehyde
PubChem CID168979640
Molecular FormulaC6H6F4O
Molecular Weight170.10 g/mol
Exact Mass170.04
IUPAC Name2-(2,2,3,3-tetrafluorocyclobutyl)acetaldehyde
SMILESO=CCC1CC(F)(F)C1(F)F
InChIInChI=1S/C6H6F4O/c7-5(8)3-4(1-2-11)6(5,9)10/h2,4H,1,3H2
InChIKeyVOBSSBDSECVBSP-UHFFFAOYSA-N
XLogP1.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.10
LogP ≤ 51.87
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 2-(2,2,3,3-tetrafluorocyclobutyl)acetaldehyde?
The IUPAC name of 2-(2,2,3,3-tetrafluorocyclobutyl)acetaldehyde (CID 168979640) is 2-(2,2,3,3-tetrafluorocyclobutyl)acetaldehyde.
What is the SMILES notation for 2-(2,2,3,3-tetrafluorocyclobutyl)acetaldehyde?
The canonical SMILES for 2-(2,2,3,3-tetrafluorocyclobutyl)acetaldehyde is O=CCC1CC(F)(F)C1(F)F.
What is the InChIKey of 2-(2,2,3,3-tetrafluorocyclobutyl)acetaldehyde?
The InChIKey is VOBSSBDSECVBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4O/c7-5(8)3-4(1-2-11)6(5,9)10/h2,4H,1,3H2.
What are the key properties of 2-(2,2,3,3-tetrafluorocyclobutyl)acetaldehyde?
2-(2,2,3,3-tetrafluorocyclobutyl)acetaldehyde has a molecular weight of 170.10 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluorocyclobutyl)acetaldehyde is sourced from PubChem (CID 168979640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).