1-tert-butyl-3-fluorobicyclo[1.1.0]butane

C8H13F — CID 170193455

IUPAC1-tert-butyl-3-fluorobicyclo[1.1.0]butane
SMILESCC(C)(C)C12CC1(F)C2
InChIInChI=1S/C8H13F/c1-6(2,3)7-4-8(7,9)5-7/h4-5H2,1-3H3
InChIKeyLGARFWZAQIUCLE-UHFFFAOYSA-N
MW128.19 g/mol
LogP2.53
Rot. Bonds

About 1-tert-butyl-3-fluorobicyclo[1.1.0]butane

1-tert-butyl-3-fluorobicyclo[1.1.0]butane (PubChem CID 170193455) has the molecular formula C8H13F and a molecular weight of 128.19 g/mol. Its IUPAC name is 1-tert-butyl-3-fluorobicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-tert-butyl-3-fluorobicyclo[1.1.0]butane
PubChem CID170193455
Molecular FormulaC8H13F
Molecular Weight128.19 g/mol
Exact Mass128.10
IUPAC Name1-tert-butyl-3-fluorobicyclo[1.1.0]butane
SMILESCC(C)(C)C12CC1(F)C2
InChIInChI=1S/C8H13F/c1-6(2,3)7-4-8(7,9)5-7/h4-5H2,1-3H3
InChIKeyLGARFWZAQIUCLE-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-fluorobicyclo[1.1.0]butane?
The IUPAC name of 1-tert-butyl-3-fluorobicyclo[1.1.0]butane (CID 170193455) is 1-tert-butyl-3-fluorobicyclo[1.1.0]butane.
What is the SMILES notation for 1-tert-butyl-3-fluorobicyclo[1.1.0]butane?
The canonical SMILES for 1-tert-butyl-3-fluorobicyclo[1.1.0]butane is CC(C)(C)C12CC1(F)C2.
What is the InChIKey of 1-tert-butyl-3-fluorobicyclo[1.1.0]butane?
The InChIKey is LGARFWZAQIUCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F/c1-6(2,3)7-4-8(7,9)5-7/h4-5H2,1-3H3.
What are the key properties of 1-tert-butyl-3-fluorobicyclo[1.1.0]butane?
1-tert-butyl-3-fluorobicyclo[1.1.0]butane has a molecular weight of 128.19 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-fluorobicyclo[1.1.0]butane is sourced from PubChem (CID 170193455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).