1,3,5,7-tetrakis(1,1,2,3,3,3-hexafluoropropyl)adamantane

C22H16F24 — CID 15524972

IUPAC1,3,5,7-tetrakis(1,1,2,3,3,3-hexafluoropropyl)adamantane
SMILESFC(C(F)(F)F)C(F)(F)C12CC3(C(F)(F)C(F)C(F)(F)F)CC(C(F)(F)C(F)C(F)(F)F)(C1)CC(C(F)(F)C(F)C(F)(F)F)(C2)C3
InChIInChI=1S/C22H16F24/c23-7(19(35,36)37)15(27,28)11-1-12(16(29,30)8(24)20(38,39)40)4-13(2-11,17(31,32)9(25)21(41,42)43)6-14(3-11,5-12)18(33,34)10(26)22(44,45)46/h7-10H,1-6H2
InChIKeyAVXNPOOEZPBRMZ-UHFFFAOYSA-N
MW736.32 g/mol
LogP10.46
Rot. Bonds8

About 1,3,5,7-tetrakis(1,1,2,3,3,3-hexafluoropropyl)adamantane

1,3,5,7-tetrakis(1,1,2,3,3,3-hexafluoropropyl)adamantane (PubChem CID 15524972) has the molecular formula C22H16F24 and a molecular weight of 736.32 g/mol. Its IUPAC name is 1,3,5,7-tetrakis(1,1,2,3,3,3-hexafluoropropyl)adamantane.

Molecular Properties

Compound Name1,3,5,7-tetrakis(1,1,2,3,3,3-hexafluoropropyl)adamantane
PubChem CID15524972
Molecular FormulaC22H16F24
Molecular Weight736.32 g/mol
Exact Mass736.09
IUPAC Name1,3,5,7-tetrakis(1,1,2,3,3,3-hexafluoropropyl)adamantane
SMILESFC(C(F)(F)F)C(F)(F)C12CC3(C(F)(F)C(F)C(F)(F)F)CC(C(F)(F)C(F)C(F)(F)F)(C1)CC(C(F)(F)C(F)C(F)(F)F)(C2)C3
InChIInChI=1S/C22H16F24/c23-7(19(35,36)37)15(27,28)11-1-12(16(29,30)8(24)20(38,39)40)4-13(2-11,17(31,32)9(25)21(41,42)43)6-14(3-11,5-12)18(33,34)10(26)22(44,45)46/h7-10H,1-6H2
InChIKeyAVXNPOOEZPBRMZ-UHFFFAOYSA-N
XLogP10.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.32
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3,5,7-tetrakis(1,1,2,3,3,3-hexafluoropropyl)adamantane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Bis(1,1,2,3,3,3-hexafluoropropyl)adamantane
CID 13076704
Tetrafluoroadamantane
CID 12566526
1-(Trifluoromethyl)adamantane
CID 12736367
1-Fluoro-3-(trifluoromethyl)adamantane
CID 13401036
Tris(pentafluoroethyl)adamantane
CID 54031025
Tetrafluroadamantane
CID 129867979
1-(Fluoromethyl)adamantane
CID 11401003
1,3-Bis(trifluoromethyl)adamantane
CID 13197349
1-(1,1-Difluoroethyl)adamantane
CID 14713238
1,3,6,6-Tetrafluoroadamantane
CID 12566535
1-(1,1,2-Trifluoroethyl)tricyclo[3.3.1.13,7]decane
CID 12634317
1-(Trifluoromethyl)-3,6,6-trifluroadamantane
CID 12701455

Frequently Asked Questions

What is the IUPAC name of 1,3,5,7-tetrakis(1,1,2,3,3,3-hexafluoropropyl)adamantane?
The IUPAC name of 1,3,5,7-tetrakis(1,1,2,3,3,3-hexafluoropropyl)adamantane (CID 15524972) is 1,3,5,7-tetrakis(1,1,2,3,3,3-hexafluoropropyl)adamantane.
What is the SMILES notation for 1,3,5,7-tetrakis(1,1,2,3,3,3-hexafluoropropyl)adamantane?
The canonical SMILES for 1,3,5,7-tetrakis(1,1,2,3,3,3-hexafluoropropyl)adamantane is FC(C(F)(F)F)C(F)(F)C12CC3(C(F)(F)C(F)C(F)(F)F)CC(C(F)(F)C(F)C(F)(F)F)(C1)CC(C(F)(F)C(F)C(F)(F)F)(C2)C3.
What is the InChIKey of 1,3,5,7-tetrakis(1,1,2,3,3,3-hexafluoropropyl)adamantane?
The InChIKey is AVXNPOOEZPBRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F24/c23-7(19(35,36)37)15(27,28)11-1-12(16(29,30)8(24)20(38,39)40)4-13(2-11,17(31,32)9(25)21(41,42)43)6-14(3-11,5-12)18(33,34)10(26)22(44,45)46/h7-10H,1-6H2.
What are the key properties of 1,3,5,7-tetrakis(1,1,2,3,3,3-hexafluoropropyl)adamantane?
1,3,5,7-tetrakis(1,1,2,3,3,3-hexafluoropropyl)adamantane has a molecular weight of 736.32 g/mol, XLogP of 10.46, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7-tetrakis(1,1,2,3,3,3-hexafluoropropyl)adamantane is sourced from PubChem (CID 15524972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).