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

C13H18F4 — CID 89154166

IUPAC1-(2,2,3,3-tetrafluoropropyl)adamantane
SMILESFC(F)C(F)(F)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H18F4/c14-11(15)13(16,17)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11H,1-7H2
InChIKeyARKLBSURLUFEER-UHFFFAOYSA-N
MW250.28 g/mol
LogP4.49
Rot. Bonds3

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

1-(2,2,3,3-tetrafluoropropyl)adamantane (PubChem CID 89154166) has the molecular formula C13H18F4 and a molecular weight of 250.28 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropyl)adamantane.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropyl)adamantane
PubChem CID89154166
Molecular FormulaC13H18F4
Molecular Weight250.28 g/mol
Exact Mass250.13
IUPAC Name1-(2,2,3,3-tetrafluoropropyl)adamantane
SMILESFC(F)C(F)(F)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H18F4/c14-11(15)13(16,17)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11H,1-7H2
InChIKeyARKLBSURLUFEER-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,2-Difluoro-adamantane
CID 3592660
2,2-Difluoroadamantane
CID 1536378
1,3-Difluoroadamantane
CID 13620132
1,3-Bis(1,1,2,3,3,3-hexafluoropropyl)adamantane
CID 13076704
1,3,5-Trifluoroadamantane
CID 12566525
Tetrafluoroadamantane
CID 12566526
1-(Trifluoromethyl)adamantane
CID 12736367
1-Fluoro-3-(trifluoromethyl)adamantane
CID 13401036
1,3,5,7-Tetrakis(1,1,2,3,3,3-hexafluoropropyl)adamantane
CID 15524972
Fluoromethyl-5-methyl-adamantane
CID 10103817
1-Fluoro-3,5-dimethyladamantane
CID 12653452
Tris(pentafluoroethyl)adamantane
CID 54031025

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropyl)adamantane?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropyl)adamantane (CID 89154166) is 1-(2,2,3,3-tetrafluoropropyl)adamantane.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropyl)adamantane?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropyl)adamantane is FC(F)C(F)(F)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropyl)adamantane?
The InChIKey is ARKLBSURLUFEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4/c14-11(15)13(16,17)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-11H,1-7H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropyl)adamantane?
1-(2,2,3,3-tetrafluoropropyl)adamantane has a molecular weight of 250.28 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropyl)adamantane is sourced from PubChem (CID 89154166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).