2-(3,3-difluorocyclobutyl)acetaldehyde

C6H8F2O — CID 90318488

IUPAC2-(3,3-difluorocyclobutyl)acetaldehyde
SMILESO=CCC1CC(F)(F)C1
InChIInChI=1S/C6H8F2O/c7-6(8)3-5(4-6)1-2-9/h2,5H,1,3-4H2
InChIKeyCRKBNRQSAKCDPE-UHFFFAOYSA-N
MW134.12 g/mol
LogP1.62
Rot. Bonds2

About 2-(3,3-difluorocyclobutyl)acetaldehyde

2-(3,3-difluorocyclobutyl)acetaldehyde (PubChem CID 90318488) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)acetaldehyde.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)acetaldehyde
PubChem CID90318488
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name2-(3,3-difluorocyclobutyl)acetaldehyde
SMILESO=CCC1CC(F)(F)C1
InChIInChI=1S/C6H8F2O/c7-6(8)3-5(4-6)1-2-9/h2,5H,1,3-4H2
InChIKeyCRKBNRQSAKCDPE-UHFFFAOYSA-N
XLogP1.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)acetaldehyde?
The IUPAC name of 2-(3,3-difluorocyclobutyl)acetaldehyde (CID 90318488) is 2-(3,3-difluorocyclobutyl)acetaldehyde.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)acetaldehyde?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)acetaldehyde is O=CCC1CC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)acetaldehyde?
The InChIKey is CRKBNRQSAKCDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O/c7-6(8)3-5(4-6)1-2-9/h2,5H,1,3-4H2.
What are the key properties of 2-(3,3-difluorocyclobutyl)acetaldehyde?
2-(3,3-difluorocyclobutyl)acetaldehyde has a molecular weight of 134.12 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)acetaldehyde is sourced from PubChem (CID 90318488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).