5-ethenyl-2-(trifluoromethyl)adamantan-2-ol

C13H17F3O — CID 22320002

IUPAC5-ethenyl-2-(trifluoromethyl)adamantan-2-ol
SMILESC=CC12CC3CC(C1)C(O)(C(F)(F)F)C(C3)C2
InChIInChI=1S/C13H17F3O/c1-2-11-5-8-3-9(6-11)12(17,13(14,15)16)10(4-8)7-11/h2,8-10,17H,1,3-7H2
InChIKeyWCIPIQYJQGVWCX-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.29
Rot. Bonds1

About 5-ethenyl-2-(trifluoromethyl)adamantan-2-ol

5-ethenyl-2-(trifluoromethyl)adamantan-2-ol (PubChem CID 22320002) has the molecular formula C13H17F3O and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-ethenyl-2-(trifluoromethyl)adamantan-2-ol.

Molecular Properties

Compound Name5-ethenyl-2-(trifluoromethyl)adamantan-2-ol
PubChem CID22320002
Molecular FormulaC13H17F3O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name5-ethenyl-2-(trifluoromethyl)adamantan-2-ol
SMILESC=CC12CC3CC(C1)C(O)(C(F)(F)F)C(C3)C2
InChIInChI=1S/C13H17F3O/c1-2-11-5-8-3-9(6-11)12(17,13(14,15)16)10(4-8)7-11/h2,8-10,17H,1,3-7H2
InChIKeyWCIPIQYJQGVWCX-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Ethenyl-4-methoxy-4-(trifluoromethyl)adamantane
CID 22320012
5-Prop-1-en-2-yl-2-(trifluoromethyl)adamantan-2-ol
CID 22320016
2-(3-Ethenyl-1-adamantyl)-1,1,1-trifluoropropan-2-ol
CID 22320026
4-Ethenyl-2,3,3-trifluorobicyclo[2.2.2]octan-1-ol
CID 68034170
5-[(Z)-prop-1-enyl]-2-(trifluoromethyl)adamantan-2-ol
CID 69801051
5-Prop-1-enyl-2-(trifluoromethyl)adamantan-2-ol
CID 69801053
2-(3-Ethenyl-1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 88087047
2-Vinyl-2-adamantanol
CID 10821208
2-Allyladamantan-2-ol
CID 11665558
4-Ethenyl-4-methyladamantan-1-ol
CID 134192895
(3R)-4-ethenyl-4-methyladamantan-1-ol
CID 166894667
Lithium;hydride;2-prop-2-enyladamantan-2-ol
CID 173172554

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-(trifluoromethyl)adamantan-2-ol?
The IUPAC name of 5-ethenyl-2-(trifluoromethyl)adamantan-2-ol (CID 22320002) is 5-ethenyl-2-(trifluoromethyl)adamantan-2-ol.
What is the SMILES notation for 5-ethenyl-2-(trifluoromethyl)adamantan-2-ol?
The canonical SMILES for 5-ethenyl-2-(trifluoromethyl)adamantan-2-ol is C=CC12CC3CC(C1)C(O)(C(F)(F)F)C(C3)C2.
What is the InChIKey of 5-ethenyl-2-(trifluoromethyl)adamantan-2-ol?
The InChIKey is WCIPIQYJQGVWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O/c1-2-11-5-8-3-9(6-11)12(17,13(14,15)16)10(4-8)7-11/h2,8-10,17H,1,3-7H2.
What are the key properties of 5-ethenyl-2-(trifluoromethyl)adamantan-2-ol?
5-ethenyl-2-(trifluoromethyl)adamantan-2-ol has a molecular weight of 246.27 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-(trifluoromethyl)adamantan-2-ol is sourced from PubChem (CID 22320002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).