1-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)cyclobutane

C10H17F — CID 167290484

IUPAC1-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)cyclobutane
SMILESC=C(C(C)C)C1CC(C)(F)C1
InChIInChI=1S/C10H17F/c1-7(2)8(3)9-5-10(4,11)6-9/h7,9H,3,5-6H2,1-2,4H3
InChIKeyJHGLYHLPLNSTMC-UHFFFAOYSA-N
MW156.24 g/mol
LogP3.34
Rot. Bonds2

About 1-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)cyclobutane

1-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)cyclobutane (PubChem CID 167290484) has the molecular formula C10H17F and a molecular weight of 156.24 g/mol. Its IUPAC name is 1-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)cyclobutane.

Molecular Properties

Compound Name1-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)cyclobutane
PubChem CID167290484
Molecular FormulaC10H17F
Molecular Weight156.24 g/mol
Exact Mass156.13
IUPAC Name1-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)cyclobutane
SMILESC=C(C(C)C)C1CC(C)(F)C1
InChIInChI=1S/C10H17F/c1-7(2)8(3)9-5-10(4,11)6-9/h7,9H,3,5-6H2,1-2,4H3
InChIKeyJHGLYHLPLNSTMC-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.24
LogP ≤ 53.34
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-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)cyclobutane?
The IUPAC name of 1-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)cyclobutane (CID 167290484) is 1-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)cyclobutane.
What is the SMILES notation for 1-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)cyclobutane?
The canonical SMILES for 1-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)cyclobutane is C=C(C(C)C)C1CC(C)(F)C1.
What is the InChIKey of 1-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)cyclobutane?
The InChIKey is JHGLYHLPLNSTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F/c1-7(2)8(3)9-5-10(4,11)6-9/h7,9H,3,5-6H2,1-2,4H3.
What are the key properties of 1-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)cyclobutane?
1-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)cyclobutane has a molecular weight of 156.24 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-methyl-3-(3-methylbut-1-en-2-yl)cyclobutane is sourced from PubChem (CID 167290484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).