1-methylidene-3-(trifluoromethyl)cyclobutane

C6H7F3 — CID 168892293

IUPAC1-methylidene-3-(trifluoromethyl)cyclobutane
SMILESC=C1CC(C(F)(F)F)C1
InChIInChI=1S/C6H7F3/c1-4-2-5(3-4)6(7,8)9/h5H,1-3H2
InChIKeyVQIWMOBBZKPTJX-UHFFFAOYSA-N
MW136.12 g/mol
LogP2.51
Rot. Bonds

About 1-methylidene-3-(trifluoromethyl)cyclobutane

1-methylidene-3-(trifluoromethyl)cyclobutane (PubChem CID 168892293) has the molecular formula C6H7F3 and a molecular weight of 136.12 g/mol. Its IUPAC name is 1-methylidene-3-(trifluoromethyl)cyclobutane.

Molecular Properties

Compound Name1-methylidene-3-(trifluoromethyl)cyclobutane
PubChem CID168892293
Molecular FormulaC6H7F3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name1-methylidene-3-(trifluoromethyl)cyclobutane
SMILESC=C1CC(C(F)(F)F)C1
InChIInChI=1S/C6H7F3/c1-4-2-5(3-4)6(7,8)9/h5H,1-3H2
InChIKeyVQIWMOBBZKPTJX-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylidene-3-(trifluoromethyl)cyclobutane?
The IUPAC name of 1-methylidene-3-(trifluoromethyl)cyclobutane (CID 168892293) is 1-methylidene-3-(trifluoromethyl)cyclobutane.
What is the SMILES notation for 1-methylidene-3-(trifluoromethyl)cyclobutane?
The canonical SMILES for 1-methylidene-3-(trifluoromethyl)cyclobutane is C=C1CC(C(F)(F)F)C1.
What is the InChIKey of 1-methylidene-3-(trifluoromethyl)cyclobutane?
The InChIKey is VQIWMOBBZKPTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3/c1-4-2-5(3-4)6(7,8)9/h5H,1-3H2.
What are the key properties of 1-methylidene-3-(trifluoromethyl)cyclobutane?
1-methylidene-3-(trifluoromethyl)cyclobutane has a molecular weight of 136.12 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-3-(trifluoromethyl)cyclobutane is sourced from PubChem (CID 168892293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).