1,3-ditert-butyl-2-fluoro-2-methylbicyclo[1.1.1]pentane

C14H25F — CID 164958801

IUPAC1,3-ditert-butyl-2-fluoro-2-methylbicyclo[1.1.1]pentane
SMILESCC(C)(C)C12CC(C(C)(C)C)(C1)C2(C)F
InChIInChI=1S/C14H25F/c1-10(2,3)13-8-14(9-13,11(4,5)6)12(13,7)15/h8-9H2,1-7H3
InChIKeyOBIUQZYWXQDTAR-UHFFFAOYSA-N
MW212.35 g/mol
LogP4.59
Rot. Bonds

About 1,3-ditert-butyl-2-fluoro-2-methylbicyclo[1.1.1]pentane

1,3-ditert-butyl-2-fluoro-2-methylbicyclo[1.1.1]pentane (PubChem CID 164958801) has the molecular formula C14H25F and a molecular weight of 212.35 g/mol. Its IUPAC name is 1,3-ditert-butyl-2-fluoro-2-methylbicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1,3-ditert-butyl-2-fluoro-2-methylbicyclo[1.1.1]pentane
PubChem CID164958801
Molecular FormulaC14H25F
Molecular Weight212.35 g/mol
Exact Mass212.19
IUPAC Name1,3-ditert-butyl-2-fluoro-2-methylbicyclo[1.1.1]pentane
SMILESCC(C)(C)C12CC(C(C)(C)C)(C1)C2(C)F
InChIInChI=1S/C14H25F/c1-10(2,3)13-8-14(9-13,11(4,5)6)12(13,7)15/h8-9H2,1-7H3
InChIKeyOBIUQZYWXQDTAR-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.35
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-2-fluoro-2-methylbicyclo[1.1.1]pentane?
The IUPAC name of 1,3-ditert-butyl-2-fluoro-2-methylbicyclo[1.1.1]pentane (CID 164958801) is 1,3-ditert-butyl-2-fluoro-2-methylbicyclo[1.1.1]pentane.
What is the SMILES notation for 1,3-ditert-butyl-2-fluoro-2-methylbicyclo[1.1.1]pentane?
The canonical SMILES for 1,3-ditert-butyl-2-fluoro-2-methylbicyclo[1.1.1]pentane is CC(C)(C)C12CC(C(C)(C)C)(C1)C2(C)F.
What is the InChIKey of 1,3-ditert-butyl-2-fluoro-2-methylbicyclo[1.1.1]pentane?
The InChIKey is OBIUQZYWXQDTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F/c1-10(2,3)13-8-14(9-13,11(4,5)6)12(13,7)15/h8-9H2,1-7H3.
What are the key properties of 1,3-ditert-butyl-2-fluoro-2-methylbicyclo[1.1.1]pentane?
1,3-ditert-butyl-2-fluoro-2-methylbicyclo[1.1.1]pentane has a molecular weight of 212.35 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-2-fluoro-2-methylbicyclo[1.1.1]pentane is sourced from PubChem (CID 164958801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).