(Z)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-4-en-1-ol

C15H13F17O — CID 102085727

IUPAC(Z)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-4-en-1-ol
SMILESOCCC/C=C\CCC(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/C15H13F17O/c16-8(17,6-4-2-1-3-5-7-33)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1-2,33H,3-7H2/b2-1-
InChIKeyZUNBTPGJRGWUGB-UPHRSURJSA-N
MW532.23 g/mol
LogP7.10
Rot. Bonds12

About (Z)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-4-en-1-ol

(Z)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-4-en-1-ol (PubChem CID 102085727) has the molecular formula C15H13F17O and a molecular weight of 532.23 g/mol. Its IUPAC name is (Z)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-4-en-1-ol.

Molecular Properties

Compound Name(Z)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-4-en-1-ol
PubChem CID102085727
Molecular FormulaC15H13F17O
Molecular Weight532.23 g/mol
Exact Mass532.07
IUPAC Name(Z)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-4-en-1-ol
SMILESOCCC/C=C\CCC(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/C15H13F17O/c16-8(17,6-4-2-1-3-5-7-33)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1-2,33H,3-7H2/b2-1-
InChIKeyZUNBTPGJRGWUGB-UPHRSURJSA-N
XLogP7.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.23
LogP ≤ 57.10
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'}

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Related Compounds

(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol
CID 25215934
ethanol;(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol
CID 87558922
(E)-3,3,4,4,5,5,6,6,7,7-decafluorododec-10-en-1-ol
CID 121403461
(E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol
CID 121403408
sodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol
CID 175519012
1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
CID 12596031
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridecanal
CID 122214727
tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium
CID 132572424
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tetratriacontafluorodocosane
CID 99769054
(E)-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)hept-3-ene-1,7-diol
CID 10095869
3,3,4,4,5,5,6,6,7,7,8,11,12,12,13,13,14,14,15,15,16,16,16-tricosafluorohexadeca-8,10-dien-1-ol
CID 140934909
6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecanal
CID 15415170

Frequently Asked Questions

What is the IUPAC name of (Z)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-4-en-1-ol?
The IUPAC name of (Z)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-4-en-1-ol (CID 102085727) is (Z)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-4-en-1-ol.
What is the SMILES notation for (Z)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-4-en-1-ol?
The canonical SMILES for (Z)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-4-en-1-ol is OCCC/C=C\CCC(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 (Z)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-4-en-1-ol?
The InChIKey is ZUNBTPGJRGWUGB-UPHRSURJSA-N. The full InChI is InChI=1S/C15H13F17O/c16-8(17,6-4-2-1-3-5-7-33)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1-2,33H,3-7H2/b2-1-.
What are the key properties of (Z)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-4-en-1-ol?
(Z)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-4-en-1-ol has a molecular weight of 532.23 g/mol, XLogP of 7.10, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-4-en-1-ol is sourced from PubChem (CID 102085727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).