1-tert-butyl-4-fluoroadamantane

C14H23F — CID 15306067

IUPAC1-tert-butyl-4-fluoroadamantane
SMILESCC(C)(C)C12CC3CC(C1)C(F)C(C3)C2
InChIInChI=1S/C14H23F/c1-13(2,3)14-6-9-4-10(7-14)12(15)11(5-9)8-14/h9-12H,4-8H2,1-3H3
InChIKeyXFTZRHDPFNWJTD-UHFFFAOYSA-N
MW210.34 g/mol
LogP4.20
Rot. Bonds

About 1-tert-butyl-4-fluoroadamantane

1-tert-butyl-4-fluoroadamantane (PubChem CID 15306067) has the molecular formula C14H23F and a molecular weight of 210.34 g/mol. Its IUPAC name is 1-tert-butyl-4-fluoroadamantane.

Molecular Properties

Compound Name1-tert-butyl-4-fluoroadamantane
PubChem CID15306067
Molecular FormulaC14H23F
Molecular Weight210.34 g/mol
Exact Mass210.18
IUPAC Name1-tert-butyl-4-fluoroadamantane
SMILESCC(C)(C)C12CC3CC(C1)C(F)C(C3)C2
InChIInChI=1S/C14H23F/c1-13(2,3)14-6-9-4-10(7-14)12(15)11(5-9)8-14/h9-12H,4-8H2,1-3H3
InChIKeyXFTZRHDPFNWJTD-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-fluoroadamantane?
The IUPAC name of 1-tert-butyl-4-fluoroadamantane (CID 15306067) is 1-tert-butyl-4-fluoroadamantane.
What is the SMILES notation for 1-tert-butyl-4-fluoroadamantane?
The canonical SMILES for 1-tert-butyl-4-fluoroadamantane is CC(C)(C)C12CC3CC(C1)C(F)C(C3)C2.
What is the InChIKey of 1-tert-butyl-4-fluoroadamantane?
The InChIKey is XFTZRHDPFNWJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F/c1-13(2,3)14-6-9-4-10(7-14)12(15)11(5-9)8-14/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-tert-butyl-4-fluoroadamantane?
1-tert-butyl-4-fluoroadamantane has a molecular weight of 210.34 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-fluoroadamantane is sourced from PubChem (CID 15306067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).