ethanol;(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol

C11H19F5O2 — CID 87558922

IUPACethanol;(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol
SMILESCCO.OCCC/C=C/CCC(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F5O.C2H6O/c10-8(11,9(12,13)14)6-4-2-1-3-5-7-15;1-2-3/h1-2,15H,3-7H2;3H,2H2,1H3/b2-1+;
InChIKeyFRMPDNBESZFHAB-TYYBGVCCSA-N
MW278.26 g/mol
LogP3.29
Rot. Bonds6

About ethanol;(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol

ethanol;(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol (PubChem CID 87558922) has the molecular formula C11H19F5O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is ethanol;(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol.

Molecular Properties

Compound Nameethanol;(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol
PubChem CID87558922
Molecular FormulaC11H19F5O2
Molecular Weight278.26 g/mol
Exact Mass278.13
IUPAC Nameethanol;(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol
SMILESCCO.OCCC/C=C/CCC(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F5O.C2H6O/c10-8(11,9(12,13)14)6-4-2-1-3-5-7-15;1-2-3/h1-2,15H,3-7H2;3H,2H2,1H3/b2-1+;
InChIKeyFRMPDNBESZFHAB-TYYBGVCCSA-N
XLogP3.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
(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
8,8,9,9,9-pentafluoro-1-iodonon-4-ene
CID 74432309
(Z)-hept-4-en-1-ol
CID 5367536
(E)-1,1,1,7,7,8,8,8-octafluorooct-3-ene
CID 90213776
(E)-nonadec-4-en-1-ol
CID 87881885
(4Z,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaen-1-ol
CID 167993921
ethanol;octadec-9-en-1-ol
CID 173109565
(E)-1,1,1-trifluorodec-4-ene
CID 87295897
(4E,6Z)-hexadeca-4,6,11-trien-1-ol
CID 134533002
(E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol
CID 121403408
3,3,4,4,7,7,8,8,11,11,12,12,12-tridecafluorododecan-1-ol
CID 87061527

Frequently Asked Questions

What is the IUPAC name of ethanol;(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol?
The IUPAC name of ethanol;(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol (CID 87558922) is ethanol;(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol.
What is the SMILES notation for ethanol;(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol?
The canonical SMILES for ethanol;(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol is CCO.OCCC/C=C/CCC(F)(F)C(F)(F)F.
What is the InChIKey of ethanol;(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol?
The InChIKey is FRMPDNBESZFHAB-TYYBGVCCSA-N. The full InChI is InChI=1S/C9H13F5O.C2H6O/c10-8(11,9(12,13)14)6-4-2-1-3-5-7-15;1-2-3/h1-2,15H,3-7H2;3H,2H2,1H3/b2-1+;.
What are the key properties of ethanol;(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol?
ethanol;(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol has a molecular weight of 278.26 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;(E)-8,8,9,9,9-pentafluoronon-4-en-1-ol is sourced from PubChem (CID 87558922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).