1-fluoro-1-(3-methylbut-1-ynyl)cyclopropane

C8H11F — CID 176599260

IUPAC1-fluoro-1-(3-methylbut-1-ynyl)cyclopropane
SMILESCC(C)C#CC1(F)CC1
InChIInChI=1S/C8H11F/c1-7(2)3-4-8(9)5-6-8/h7H,5-6H2,1-2H3
InChIKeyCEJLTCXJQSDTQY-UHFFFAOYSA-N
MW126.17 g/mol
LogP2.15
Rot. Bonds

About 1-fluoro-1-(3-methylbut-1-ynyl)cyclopropane

1-fluoro-1-(3-methylbut-1-ynyl)cyclopropane (PubChem CID 176599260) has the molecular formula C8H11F and a molecular weight of 126.17 g/mol. Its IUPAC name is 1-fluoro-1-(3-methylbut-1-ynyl)cyclopropane.

Molecular Properties

Compound Name1-fluoro-1-(3-methylbut-1-ynyl)cyclopropane
PubChem CID176599260
Molecular FormulaC8H11F
Molecular Weight126.17 g/mol
Exact Mass126.08
IUPAC Name1-fluoro-1-(3-methylbut-1-ynyl)cyclopropane
SMILESCC(C)C#CC1(F)CC1
InChIInChI=1S/C8H11F/c1-7(2)3-4-8(9)5-6-8/h7H,5-6H2,1-2H3
InChIKeyCEJLTCXJQSDTQY-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluoro-1-(3-methylbut-1-ynyl)cyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-1-(3-methylbut-1-ynyl)cyclopropane
CID 90734253
4-(3-methylbut-1-ynyl)-1-azabicyclo[2.2.1]heptane
CID 176599508
1-(3-methylbut-1-ynyl)-1-(2-methylpropyl)cyclopentane
CID 178005011
1-hydroperoxy-1-(3-methylbut-1-ynyl)cyclohexane
CID 23263634
[1-(3-methylbut-1-ynyl)cyclopentyl] 2-methylprop-2-enoate
CID 167137204
2,3-dimethyl-2-(3-methylbut-1-ynyl)oxirane
CID 130712502
3-hydroxy-3-(3-methylbut-1-ynyl)cyclobutane-1-carbonitrile
CID 118967277
1,1-difluoro-4,4-dimethylcyclohexane;methane
CID 159801836
cobalt;1,1-difluorocyclopropane
CID 143921033
1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane
CID 134252083
ethane;methane;bis(2-methylpropane)
CID 169426228
ethane;methane;2-methylpropane
CID 161431647

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(3-methylbut-1-ynyl)cyclopropane?
The IUPAC name of 1-fluoro-1-(3-methylbut-1-ynyl)cyclopropane (CID 176599260) is 1-fluoro-1-(3-methylbut-1-ynyl)cyclopropane.
What is the SMILES notation for 1-fluoro-1-(3-methylbut-1-ynyl)cyclopropane?
The canonical SMILES for 1-fluoro-1-(3-methylbut-1-ynyl)cyclopropane is CC(C)C#CC1(F)CC1.
What is the InChIKey of 1-fluoro-1-(3-methylbut-1-ynyl)cyclopropane?
The InChIKey is CEJLTCXJQSDTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F/c1-7(2)3-4-8(9)5-6-8/h7H,5-6H2,1-2H3.
What are the key properties of 1-fluoro-1-(3-methylbut-1-ynyl)cyclopropane?
1-fluoro-1-(3-methylbut-1-ynyl)cyclopropane has a molecular weight of 126.17 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(3-methylbut-1-ynyl)cyclopropane is sourced from PubChem (CID 176599260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).