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

C14H14F10O — CID 23405289

IUPAC3-(2-ethenyl-1-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol
SMILESC=CC1CC2CCC1(C(O)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C2
InChIInChI=1S/C14H14F10O/c1-2-8-5-7-3-4-9(8,6-7)10(25,11(15,16)13(19,20)21)12(17,18)14(22,23)24/h2,7-8,25H,1,3-6H2
InChIKeyKXEHKFHHPIQZPO-UHFFFAOYSA-N
MW388.25 g/mol
LogP5.11
Rot. Bonds4

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

3-(2-ethenyl-1-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol (PubChem CID 23405289) has the molecular formula C14H14F10O and a molecular weight of 388.25 g/mol. Its IUPAC name is 3-(2-ethenyl-1-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol.

Molecular Properties

Compound Name3-(2-ethenyl-1-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol
PubChem CID23405289
Molecular FormulaC14H14F10O
Molecular Weight388.25 g/mol
Exact Mass388.09
IUPAC Name3-(2-ethenyl-1-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol
SMILESC=CC1CC2CCC1(C(O)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C2
InChIInChI=1S/C14H14F10O/c1-2-8-5-7-3-4-9(8,6-7)10(25,11(15,16)13(19,20)21)12(17,18)14(22,23)24/h2,7-8,25H,1,3-6H2
InChIKeyKXEHKFHHPIQZPO-UHFFFAOYSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.25
LogP ≤ 55.11
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-(2-ethenyl-1-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol?
The IUPAC name of 3-(2-ethenyl-1-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol (CID 23405289) is 3-(2-ethenyl-1-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-(2-ethenyl-1-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol?
The canonical SMILES for 3-(2-ethenyl-1-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol is C=CC1CC2CCC1(C(O)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C2.
What is the InChIKey of 3-(2-ethenyl-1-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol?
The InChIKey is KXEHKFHHPIQZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F10O/c1-2-8-5-7-3-4-9(8,6-7)10(25,11(15,16)13(19,20)21)12(17,18)14(22,23)24/h2,7-8,25H,1,3-6H2.
What are the key properties of 3-(2-ethenyl-1-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol?
3-(2-ethenyl-1-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 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenyl-1-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol is sourced from PubChem (CID 23405289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).