1,3,5,7-tetrafluoroadamantane

C10H12F4 — CID 12566526

IUPAC1,3,5,7-tetrafluoroadamantane
SMILESFC12CC3(F)CC(F)(C1)CC(F)(C2)C3
InChIInChI=1S/C10H12F4/c11-7-1-8(12)4-9(13,2-7)6-10(14,3-7)5-8/h1-6H2
InChIKeyBKNBEMOWTNIPTF-UHFFFAOYSA-N
MW208.20 g/mol
LogP3.20
Rot. Bonds

About 1,3,5,7-tetrafluoroadamantane

1,3,5,7-tetrafluoroadamantane (PubChem CID 12566526) has the molecular formula C10H12F4 and a molecular weight of 208.20 g/mol. Its IUPAC name is 1,3,5,7-tetrafluoroadamantane.

Molecular Properties

Compound Name1,3,5,7-tetrafluoroadamantane
PubChem CID12566526
Molecular FormulaC10H12F4
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Name1,3,5,7-tetrafluoroadamantane
SMILESFC12CC3(F)CC(F)(C1)CC(F)(C2)C3
InChIInChI=1S/C10H12F4/c11-7-1-8(12)4-9(13,2-7)6-10(14,3-7)5-8/h1-6H2
InChIKeyBKNBEMOWTNIPTF-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetrafluoroadamantane?
The IUPAC name of 1,3,5,7-tetrafluoroadamantane (CID 12566526) is 1,3,5,7-tetrafluoroadamantane.
What is the SMILES notation for 1,3,5,7-tetrafluoroadamantane?
The canonical SMILES for 1,3,5,7-tetrafluoroadamantane is FC12CC3(F)CC(F)(C1)CC(F)(C2)C3.
What is the InChIKey of 1,3,5,7-tetrafluoroadamantane?
The InChIKey is BKNBEMOWTNIPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4/c11-7-1-8(12)4-9(13,2-7)6-10(14,3-7)5-8/h1-6H2.
What are the key properties of 1,3,5,7-tetrafluoroadamantane?
1,3,5,7-tetrafluoroadamantane has a molecular weight of 208.20 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetrafluoroadamantane is sourced from PubChem (CID 12566526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).