1-tert-butyl-1-fluorocyclobutane

C8H15F — CID 126763971

IUPAC1-tert-butyl-1-fluorocyclobutane
SMILESCC(C)(C)C1(F)CCC1
InChIInChI=1S/C8H15F/c1-7(2,3)8(9)5-4-6-8/h4-6H2,1-3H3
InChIKeyUDTSCEJYFCQIRF-UHFFFAOYSA-N
MW130.21 g/mol
LogP2.92
Rot. Bonds

About 1-tert-butyl-1-fluorocyclobutane

1-tert-butyl-1-fluorocyclobutane (PubChem CID 126763971) has the molecular formula C8H15F and a molecular weight of 130.21 g/mol. Its IUPAC name is 1-tert-butyl-1-fluorocyclobutane.

Molecular Properties

Compound Name1-tert-butyl-1-fluorocyclobutane
PubChem CID126763971
Molecular FormulaC8H15F
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name1-tert-butyl-1-fluorocyclobutane
SMILESCC(C)(C)C1(F)CCC1
InChIInChI=1S/C8H15F/c1-7(2,3)8(9)5-4-6-8/h4-6H2,1-3H3
InChIKeyUDTSCEJYFCQIRF-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-1-fluorocyclobutane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-fluorocyclobutane?
The IUPAC name of 1-tert-butyl-1-fluorocyclobutane (CID 126763971) is 1-tert-butyl-1-fluorocyclobutane.
What is the SMILES notation for 1-tert-butyl-1-fluorocyclobutane?
The canonical SMILES for 1-tert-butyl-1-fluorocyclobutane is CC(C)(C)C1(F)CCC1.
What is the InChIKey of 1-tert-butyl-1-fluorocyclobutane?
The InChIKey is UDTSCEJYFCQIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F/c1-7(2,3)8(9)5-4-6-8/h4-6H2,1-3H3.
What are the key properties of 1-tert-butyl-1-fluorocyclobutane?
1-tert-butyl-1-fluorocyclobutane has a molecular weight of 130.21 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-fluorocyclobutane is sourced from PubChem (CID 126763971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).