1,2,2,3,4,4,5,6,6,7,8,8,9,9-tetradecafluoro-10,10-dimethyladamantane

C12H6F14 — CID 87665387

IUPAC1,2,2,3,4,4,5,6,6,7,8,8,9,9-tetradecafluoro-10,10-dimethyladamantane
SMILESCC1(C)C2(F)C(F)(F)C3(F)C(F)(F)C1(F)C(F)(F)C(F)(C2(F)F)C3(F)F
InChIInChI=1S/C12H6F14/c1-3(2)4(13)8(17,18)6(15)10(21,22)5(3,14)11(23,24)7(16,9(4,19)20)12(6,25)26/h1-2H3
InChIKeyYGVHKKNTHRECLO-UHFFFAOYSA-N
MW416.15 g/mol
LogP5.06
Rot. Bonds

About 1,2,2,3,4,4,5,6,6,7,8,8,9,9-tetradecafluoro-10,10-dimethyladamantane

1,2,2,3,4,4,5,6,6,7,8,8,9,9-tetradecafluoro-10,10-dimethyladamantane (PubChem CID 87665387) has the molecular formula C12H6F14 and a molecular weight of 416.15 g/mol. Its IUPAC name is 1,2,2,3,4,4,5,6,6,7,8,8,9,9-tetradecafluoro-10,10-dimethyladamantane.

Molecular Properties

Compound Name1,2,2,3,4,4,5,6,6,7,8,8,9,9-tetradecafluoro-10,10-dimethyladamantane
PubChem CID87665387
Molecular FormulaC12H6F14
Molecular Weight416.15 g/mol
Exact Mass416.02
IUPAC Name1,2,2,3,4,4,5,6,6,7,8,8,9,9-tetradecafluoro-10,10-dimethyladamantane
SMILESCC1(C)C2(F)C(F)(F)C3(F)C(F)(F)C1(F)C(F)(F)C(F)(C2(F)F)C3(F)F
InChIInChI=1S/C12H6F14/c1-3(2)4(13)8(17,18)6(15)10(21,22)5(3,14)11(23,24)7(16,9(4,19)20)12(6,25)26/h1-2H3
InChIKeyYGVHKKNTHRECLO-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.15
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,4,4,5,6,6,7,8,8,9,9-tetradecafluoro-10,10-dimethyladamantane?
The IUPAC name of 1,2,2,3,4,4,5,6,6,7,8,8,9,9-tetradecafluoro-10,10-dimethyladamantane (CID 87665387) is 1,2,2,3,4,4,5,6,6,7,8,8,9,9-tetradecafluoro-10,10-dimethyladamantane.
What is the SMILES notation for 1,2,2,3,4,4,5,6,6,7,8,8,9,9-tetradecafluoro-10,10-dimethyladamantane?
The canonical SMILES for 1,2,2,3,4,4,5,6,6,7,8,8,9,9-tetradecafluoro-10,10-dimethyladamantane is CC1(C)C2(F)C(F)(F)C3(F)C(F)(F)C1(F)C(F)(F)C(F)(C2(F)F)C3(F)F.
What is the InChIKey of 1,2,2,3,4,4,5,6,6,7,8,8,9,9-tetradecafluoro-10,10-dimethyladamantane?
The InChIKey is YGVHKKNTHRECLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F14/c1-3(2)4(13)8(17,18)6(15)10(21,22)5(3,14)11(23,24)7(16,9(4,19)20)12(6,25)26/h1-2H3.
What are the key properties of 1,2,2,3,4,4,5,6,6,7,8,8,9,9-tetradecafluoro-10,10-dimethyladamantane?
1,2,2,3,4,4,5,6,6,7,8,8,9,9-tetradecafluoro-10,10-dimethyladamantane has a molecular weight of 416.15 g/mol, XLogP of 5.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,4,4,5,6,6,7,8,8,9,9-tetradecafluoro-10,10-dimethyladamantane is sourced from PubChem (CID 87665387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).