2-(fluoromethyl)cyclobutane-1-carbaldehyde

C6H9FO — CID 84716006

IUPAC2-(fluoromethyl)cyclobutane-1-carbaldehyde
SMILESO=CC1CCC1CF
InChIInChI=1S/C6H9FO/c7-3-5-1-2-6(5)4-8/h4-6H,1-3H2
InChIKeyQUKLMRAPNOMHCF-UHFFFAOYSA-N
MW116.14 g/mol
LogP1.18
Rot. Bonds2

About 2-(fluoromethyl)cyclobutane-1-carbaldehyde

2-(fluoromethyl)cyclobutane-1-carbaldehyde (PubChem CID 84716006) has the molecular formula C6H9FO and a molecular weight of 116.14 g/mol. Its IUPAC name is 2-(fluoromethyl)cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name2-(fluoromethyl)cyclobutane-1-carbaldehyde
PubChem CID84716006
Molecular FormulaC6H9FO
Molecular Weight116.14 g/mol
Exact Mass116.06
IUPAC Name2-(fluoromethyl)cyclobutane-1-carbaldehyde
SMILESO=CC1CCC1CF
InChIInChI=1S/C6H9FO/c7-3-5-1-2-6(5)4-8/h4-6H,1-3H2
InChIKeyQUKLMRAPNOMHCF-UHFFFAOYSA-N
XLogP1.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 51.18
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-(fluoromethyl)cyclobutane-1-carbaldehyde?
The IUPAC name of 2-(fluoromethyl)cyclobutane-1-carbaldehyde (CID 84716006) is 2-(fluoromethyl)cyclobutane-1-carbaldehyde.
What is the SMILES notation for 2-(fluoromethyl)cyclobutane-1-carbaldehyde?
The canonical SMILES for 2-(fluoromethyl)cyclobutane-1-carbaldehyde is O=CC1CCC1CF.
What is the InChIKey of 2-(fluoromethyl)cyclobutane-1-carbaldehyde?
The InChIKey is QUKLMRAPNOMHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c7-3-5-1-2-6(5)4-8/h4-6H,1-3H2.
What are the key properties of 2-(fluoromethyl)cyclobutane-1-carbaldehyde?
2-(fluoromethyl)cyclobutane-1-carbaldehyde has a molecular weight of 116.14 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)cyclobutane-1-carbaldehyde is sourced from PubChem (CID 84716006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).