3-(6-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol

C14H14F10O — CID 23405292

IUPAC3-(6-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol
SMILESC=CC1CC2CC1C(C(O)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C2
InChIInChI=1S/C14H14F10O/c1-2-7-3-6-4-8(7)9(5-6)10(25,11(15,16)13(19,20)21)12(17,18)14(22,23)24/h2,6-9,25H,1,3-5H2
InChIKeyQKHUCNVXSVBACG-UHFFFAOYSA-N
MW388.25 g/mol
LogP4.96
Rot. Bonds4

About 3-(6-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol

3-(6-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol (PubChem CID 23405292) has the molecular formula C14H14F10O and a molecular weight of 388.25 g/mol. Its IUPAC name is 3-(6-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol.

Molecular Properties

Compound Name3-(6-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol
PubChem CID23405292
Molecular FormulaC14H14F10O
Molecular Weight388.25 g/mol
Exact Mass388.09
IUPAC Name3-(6-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol
SMILESC=CC1CC2CC1C(C(O)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C2
InChIInChI=1S/C14H14F10O/c1-2-7-3-6-4-8(7)9(5-6)10(25,11(15,16)13(19,20)21)12(17,18)14(22,23)24/h2,6-9,25H,1,3-5H2
InChIKeyQKHUCNVXSVBACG-UHFFFAOYSA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol?
The IUPAC name of 3-(6-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol (CID 23405292) is 3-(6-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol.
What is the SMILES notation for 3-(6-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol?
The canonical SMILES for 3-(6-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol is C=CC1CC2CC1C(C(O)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C2.
What is the InChIKey of 3-(6-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol?
The InChIKey is QKHUCNVXSVBACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F10O/c1-2-7-3-6-4-8(7)9(5-6)10(25,11(15,16)13(19,20)21)12(17,18)14(22,23)24/h2,6-9,25H,1,3-5H2.
What are the key properties of 3-(6-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol?
3-(6-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol has a molecular weight of 388.25 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol is sourced from PubChem (CID 23405292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).