3-(3-cyclopropylidene-2,2,4-trimethylpentyl)-1-fluoro-1-methylcyclobutane

C16H27F — CID 134570969

IUPAC3-(3-cyclopropylidene-2,2,4-trimethylpentyl)-1-fluoro-1-methylcyclobutane
SMILESCC(C)C(=C1CC1)C(C)(C)CC1CC(C)(F)C1
InChIInChI=1S/C16H27F/c1-11(2)14(13-6-7-13)15(3,4)8-12-9-16(5,17)10-12/h11-12H,6-10H2,1-5H3
InChIKeyKBNYDZNDSNSUET-UHFFFAOYSA-N
MW238.39 g/mol
LogP5.29
Rot. Bonds4

About 3-(3-cyclopropylidene-2,2,4-trimethylpentyl)-1-fluoro-1-methylcyclobutane

3-(3-cyclopropylidene-2,2,4-trimethylpentyl)-1-fluoro-1-methylcyclobutane (PubChem CID 134570969) has the molecular formula C16H27F and a molecular weight of 238.39 g/mol. Its IUPAC name is 3-(3-cyclopropylidene-2,2,4-trimethylpentyl)-1-fluoro-1-methylcyclobutane.

Molecular Properties

Compound Name3-(3-cyclopropylidene-2,2,4-trimethylpentyl)-1-fluoro-1-methylcyclobutane
PubChem CID134570969
Molecular FormulaC16H27F
Molecular Weight238.39 g/mol
Exact Mass238.21
IUPAC Name3-(3-cyclopropylidene-2,2,4-trimethylpentyl)-1-fluoro-1-methylcyclobutane
SMILESCC(C)C(=C1CC1)C(C)(C)CC1CC(C)(F)C1
InChIInChI=1S/C16H27F/c1-11(2)14(13-6-7-13)15(3,4)8-12-9-16(5,17)10-12/h11-12H,6-10H2,1-5H3
InChIKeyKBNYDZNDSNSUET-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.39
LogP ≤ 55.29
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 3-(3-cyclopropylidene-2,2,4-trimethylpentyl)-1-fluoro-1-methylcyclobutane?
The IUPAC name of 3-(3-cyclopropylidene-2,2,4-trimethylpentyl)-1-fluoro-1-methylcyclobutane (CID 134570969) is 3-(3-cyclopropylidene-2,2,4-trimethylpentyl)-1-fluoro-1-methylcyclobutane.
What is the SMILES notation for 3-(3-cyclopropylidene-2,2,4-trimethylpentyl)-1-fluoro-1-methylcyclobutane?
The canonical SMILES for 3-(3-cyclopropylidene-2,2,4-trimethylpentyl)-1-fluoro-1-methylcyclobutane is CC(C)C(=C1CC1)C(C)(C)CC1CC(C)(F)C1.
What is the InChIKey of 3-(3-cyclopropylidene-2,2,4-trimethylpentyl)-1-fluoro-1-methylcyclobutane?
The InChIKey is KBNYDZNDSNSUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F/c1-11(2)14(13-6-7-13)15(3,4)8-12-9-16(5,17)10-12/h11-12H,6-10H2,1-5H3.
What are the key properties of 3-(3-cyclopropylidene-2,2,4-trimethylpentyl)-1-fluoro-1-methylcyclobutane?
3-(3-cyclopropylidene-2,2,4-trimethylpentyl)-1-fluoro-1-methylcyclobutane has a molecular weight of 238.39 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropylidene-2,2,4-trimethylpentyl)-1-fluoro-1-methylcyclobutane is sourced from PubChem (CID 134570969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).