9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentacosafluoroicos-1-en-7-ol

C20H15F25O — CID 88654871

IUPAC9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentacosafluoroicos-1-en-7-ol
SMILESC=CCCCCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C20H15F25O/c1-2-3-4-5-6-8(46)7-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h2,8,46H,1,3-7H2
InChIKeyMELHESNKADBZDJ-UHFFFAOYSA-N
MW746.29 g/mol
LogP10.03
Rot. Bonds17

About 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentacosafluoroicos-1-en-7-ol

9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentacosafluoroicos-1-en-7-ol (PubChem CID 88654871) has the molecular formula C20H15F25O and a molecular weight of 746.29 g/mol. Its IUPAC name is 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentacosafluoroicos-1-en-7-ol.

Molecular Properties

Compound Name9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentacosafluoroicos-1-en-7-ol
PubChem CID88654871
Molecular FormulaC20H15F25O
Molecular Weight746.29 g/mol
Exact Mass746.07
IUPAC Name9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentacosafluoroicos-1-en-7-ol
SMILESC=CCCCCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C20H15F25O/c1-2-3-4-5-6-8(46)7-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h2,8,46H,1,3-7H2
InChIKeyMELHESNKADBZDJ-UHFFFAOYSA-N
XLogP10.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.29
LogP ≤ 510.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentacosafluoroicos-1-en-7-ol with MolForge

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Related Compounds

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7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-henicosafluorohexadec-1-en-5-ol
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1,1,1-trifluorooct-7-en-2-ol
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Frequently Asked Questions

What is the IUPAC name of 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentacosafluoroicos-1-en-7-ol?
The IUPAC name of 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentacosafluoroicos-1-en-7-ol (CID 88654871) is 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentacosafluoroicos-1-en-7-ol.
What is the SMILES notation for 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentacosafluoroicos-1-en-7-ol?
The canonical SMILES for 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentacosafluoroicos-1-en-7-ol is C=CCCCCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentacosafluoroicos-1-en-7-ol?
The InChIKey is MELHESNKADBZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F25O/c1-2-3-4-5-6-8(46)7-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h2,8,46H,1,3-7H2.
What are the key properties of 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentacosafluoroicos-1-en-7-ol?
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentacosafluoroicos-1-en-7-ol has a molecular weight of 746.29 g/mol, XLogP of 10.03, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentacosafluoroicos-1-en-7-ol is sourced from PubChem (CID 88654871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).