4-(1-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoroheptan-4-ol

C16H14F14O — CID 23405288

IUPAC4-(1-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoroheptan-4-ol
SMILESC=CC12CCC(CC1C(O)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C2
InChIInChI=1S/C16H14F14O/c1-2-9-4-3-7(6-9)5-8(9)10(31,11(17,18)13(21,22)15(25,26)27)12(19,20)14(23,24)16(28,29)30/h2,7-8,31H,1,3-6H2
InChIKeyCDLZRNFUJDGGNY-UHFFFAOYSA-N
MW488.26 g/mol
LogP6.38
Rot. Bonds6

About 4-(1-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoroheptan-4-ol

4-(1-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoroheptan-4-ol (PubChem CID 23405288) has the molecular formula C16H14F14O and a molecular weight of 488.26 g/mol. Its IUPAC name is 4-(1-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoroheptan-4-ol.

Molecular Properties

Compound Name4-(1-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoroheptan-4-ol
PubChem CID23405288
Molecular FormulaC16H14F14O
Molecular Weight488.26 g/mol
Exact Mass488.08
IUPAC Name4-(1-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoroheptan-4-ol
SMILESC=CC12CCC(CC1C(O)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C2
InChIInChI=1S/C16H14F14O/c1-2-9-4-3-7(6-9)5-8(9)10(31,11(17,18)13(21,22)15(25,26)27)12(19,20)14(23,24)16(28,29)30/h2,7-8,31H,1,3-6H2
InChIKeyCDLZRNFUJDGGNY-UHFFFAOYSA-N
XLogP6.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.26
LogP ≤ 56.38
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'}

Analyze 4-(1-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoroheptan-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoroheptan-4-ol?
The IUPAC name of 4-(1-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoroheptan-4-ol (CID 23405288) is 4-(1-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoroheptan-4-ol.
What is the SMILES notation for 4-(1-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoroheptan-4-ol?
The canonical SMILES for 4-(1-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoroheptan-4-ol is C=CC12CCC(CC1C(O)(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)C2.
What is the InChIKey of 4-(1-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoroheptan-4-ol?
The InChIKey is CDLZRNFUJDGGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F14O/c1-2-9-4-3-7(6-9)5-8(9)10(31,11(17,18)13(21,22)15(25,26)27)12(19,20)14(23,24)16(28,29)30/h2,7-8,31H,1,3-6H2.
What are the key properties of 4-(1-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoroheptan-4-ol?
4-(1-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoroheptan-4-ol has a molecular weight of 488.26 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethenyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoroheptan-4-ol is sourced from PubChem (CID 23405288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).