4-fluoro-1-methyl-3-methylidene-4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)cyclobutene

C11H12F4O — CID 162550076

IUPAC4-fluoro-1-methyl-3-methylidene-4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)cyclobutene
SMILESC=CCOC(F)(F)C(F)C1(F)C(=C)C=C1C
InChIInChI=1S/C11H12F4O/c1-4-5-16-11(14,15)9(12)10(13)7(2)6-8(10)3/h4,6,9H,1-2,5H2,3H3
InChIKeyOQFDLEPJRUNEAO-UHFFFAOYSA-N
MW236.21 g/mol
LogP3.34
Rot. Bonds5

About 4-fluoro-1-methyl-3-methylidene-4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)cyclobutene

4-fluoro-1-methyl-3-methylidene-4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)cyclobutene (PubChem CID 162550076) has the molecular formula C11H12F4O and a molecular weight of 236.21 g/mol. Its IUPAC name is 4-fluoro-1-methyl-3-methylidene-4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)cyclobutene.

Molecular Properties

Compound Name4-fluoro-1-methyl-3-methylidene-4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)cyclobutene
PubChem CID162550076
Molecular FormulaC11H12F4O
Molecular Weight236.21 g/mol
Exact Mass236.08
IUPAC Name4-fluoro-1-methyl-3-methylidene-4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)cyclobutene
SMILESC=CCOC(F)(F)C(F)C1(F)C(=C)C=C1C
InChIInChI=1S/C11H12F4O/c1-4-5-16-11(14,15)9(12)10(13)7(2)6-8(10)3/h4,6,9H,1-2,5H2,3H3
InChIKeyOQFDLEPJRUNEAO-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-fluoro-1-methyl-3-methylidene-4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)cyclobutene?
The IUPAC name of 4-fluoro-1-methyl-3-methylidene-4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)cyclobutene (CID 162550076) is 4-fluoro-1-methyl-3-methylidene-4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)cyclobutene.
What is the SMILES notation for 4-fluoro-1-methyl-3-methylidene-4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)cyclobutene?
The canonical SMILES for 4-fluoro-1-methyl-3-methylidene-4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)cyclobutene is C=CCOC(F)(F)C(F)C1(F)C(=C)C=C1C.
What is the InChIKey of 4-fluoro-1-methyl-3-methylidene-4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)cyclobutene?
The InChIKey is OQFDLEPJRUNEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O/c1-4-5-16-11(14,15)9(12)10(13)7(2)6-8(10)3/h4,6,9H,1-2,5H2,3H3.
What are the key properties of 4-fluoro-1-methyl-3-methylidene-4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)cyclobutene?
4-fluoro-1-methyl-3-methylidene-4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)cyclobutene has a molecular weight of 236.21 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-3-methylidene-4-(1,2,2-trifluoro-2-prop-2-enoxyethyl)cyclobutene is sourced from PubChem (CID 162550076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).