3-(trifluoromethyl)cyclobutane-1-carbaldehyde

C6H7F3O — CID 131335536

IUPAC3-(trifluoromethyl)cyclobutane-1-carbaldehyde
SMILESO=CC1CC(C(F)(F)F)C1
InChIInChI=1S/C6H7F3O/c7-6(8,9)5-1-4(2-5)3-10/h3-5H,1-2H2
InChIKeyAHPTZVMFIUSJTA-UHFFFAOYSA-N
MW152.11 g/mol
LogP1.77
Rot. Bonds1

About 3-(trifluoromethyl)cyclobutane-1-carbaldehyde

3-(trifluoromethyl)cyclobutane-1-carbaldehyde (PubChem CID 131335536) has the molecular formula C6H7F3O and a molecular weight of 152.11 g/mol. Its IUPAC name is 3-(trifluoromethyl)cyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name3-(trifluoromethyl)cyclobutane-1-carbaldehyde
PubChem CID131335536
Molecular FormulaC6H7F3O
Molecular Weight152.11 g/mol
Exact Mass152.04
IUPAC Name3-(trifluoromethyl)cyclobutane-1-carbaldehyde
SMILESO=CC1CC(C(F)(F)F)C1
InChIInChI=1S/C6H7F3O/c7-6(8,9)5-1-4(2-5)3-10/h3-5H,1-2H2
InChIKeyAHPTZVMFIUSJTA-UHFFFAOYSA-N
XLogP1.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 51.77
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 3-(trifluoromethyl)cyclobutane-1-carbaldehyde?
The IUPAC name of 3-(trifluoromethyl)cyclobutane-1-carbaldehyde (CID 131335536) is 3-(trifluoromethyl)cyclobutane-1-carbaldehyde.
What is the SMILES notation for 3-(trifluoromethyl)cyclobutane-1-carbaldehyde?
The canonical SMILES for 3-(trifluoromethyl)cyclobutane-1-carbaldehyde is O=CC1CC(C(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethyl)cyclobutane-1-carbaldehyde?
The InChIKey is AHPTZVMFIUSJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O/c7-6(8,9)5-1-4(2-5)3-10/h3-5H,1-2H2.
What are the key properties of 3-(trifluoromethyl)cyclobutane-1-carbaldehyde?
3-(trifluoromethyl)cyclobutane-1-carbaldehyde has a molecular weight of 152.11 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)cyclobutane-1-carbaldehyde is sourced from PubChem (CID 131335536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).