1-(1,1,2,3,3,3-hexafluoropropyl)adamantane

C13H16F6 — CID 13076703

IUPAC1-(1,1,2,3,3,3-hexafluoropropyl)adamantane
SMILESFC(C(F)(F)F)C(F)(F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H16F6/c14-10(13(17,18)19)12(15,16)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-10H,1-6H2
InChIKeyILEOQLVACLIVRU-UHFFFAOYSA-N
MW286.26 g/mol
LogP4.74
Rot. Bonds2

About 1-(1,1,2,3,3,3-hexafluoropropyl)adamantane

1-(1,1,2,3,3,3-hexafluoropropyl)adamantane (PubChem CID 13076703) has the molecular formula C13H16F6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 1-(1,1,2,3,3,3-hexafluoropropyl)adamantane.

Molecular Properties

Compound Name1-(1,1,2,3,3,3-hexafluoropropyl)adamantane
PubChem CID13076703
Molecular FormulaC13H16F6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name1-(1,1,2,3,3,3-hexafluoropropyl)adamantane
SMILESFC(C(F)(F)F)C(F)(F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H16F6/c14-10(13(17,18)19)12(15,16)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-10H,1-6H2
InChIKeyILEOQLVACLIVRU-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(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

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropyl)adamantane?
The IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropyl)adamantane (CID 13076703) is 1-(1,1,2,3,3,3-hexafluoropropyl)adamantane.
What is the SMILES notation for 1-(1,1,2,3,3,3-hexafluoropropyl)adamantane?
The canonical SMILES for 1-(1,1,2,3,3,3-hexafluoropropyl)adamantane is FC(C(F)(F)F)C(F)(F)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1,1,2,3,3,3-hexafluoropropyl)adamantane?
The InChIKey is ILEOQLVACLIVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F6/c14-10(13(17,18)19)12(15,16)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-10H,1-6H2.
What are the key properties of 1-(1,1,2,3,3,3-hexafluoropropyl)adamantane?
1-(1,1,2,3,3,3-hexafluoropropyl)adamantane has a molecular weight of 286.26 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3,3-hexafluoropropyl)adamantane is sourced from PubChem (CID 13076703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).