(E)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridec-10-en-1-ol

C13H14F12O — CID 121403330

IUPAC(E)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridec-10-en-1-ol
SMILESCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCO
InChIInChI=1S/C13H14F12O/c1-2-3-5-8(14,15)10(18,19)12(22,23)13(24,25)11(20,21)9(16,17)6-4-7-26/h3,5,26H,2,4,6-7H2,1H3/b5-3+
InChIKeyFNEODJAZIBTZIO-HWKANZROSA-N
MW414.23 g/mol
LogP5.54
Rot. Bonds10

About (E)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridec-10-en-1-ol

(E)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridec-10-en-1-ol (PubChem CID 121403330) has the molecular formula C13H14F12O and a molecular weight of 414.23 g/mol. Its IUPAC name is (E)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridec-10-en-1-ol.

Molecular Properties

Compound Name(E)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridec-10-en-1-ol
PubChem CID121403330
Molecular FormulaC13H14F12O
Molecular Weight414.23 g/mol
Exact Mass414.09
IUPAC Name(E)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridec-10-en-1-ol
SMILESCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCO
InChIInChI=1S/C13H14F12O/c1-2-3-5-8(14,15)10(18,19)12(22,23)13(24,25)11(20,21)9(16,17)6-4-7-26/h3,5,26H,2,4,6-7H2,1H3/b5-3+
InChIKeyFNEODJAZIBTZIO-HWKANZROSA-N
XLogP5.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.23
LogP ≤ 55.54
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 (E)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridec-10-en-1-ol with MolForge

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Related Compounds

5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene
CID 123318581
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridecan-1-ol
CID 121403329
9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol
CID 121403458
5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol
CID 121403452
(E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol
CID 121403408
10,10,11,11,12,12,13,13-octafluorohexadecan-1-ol
CID 121403306
(E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-2-ene
CID 89419217
7,7,8,8,9,9,10,10,11,12,12,12-dodecafluoro-11-(trifluoromethyl)dodecan-1-ol
CID 54057329
4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-10-pentoxydecan-1-ol
CID 121403333
(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
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotridecanal
CID 11015174
4,4,5,5,6,6,7,7-octafluoro-7-octoxyheptan-1-ol
CID 121403285

Frequently Asked Questions

What is the IUPAC name of (E)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridec-10-en-1-ol?
The IUPAC name of (E)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridec-10-en-1-ol (CID 121403330) is (E)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridec-10-en-1-ol.
What is the SMILES notation for (E)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridec-10-en-1-ol?
The canonical SMILES for (E)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridec-10-en-1-ol is CC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCO.
What is the InChIKey of (E)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridec-10-en-1-ol?
The InChIKey is FNEODJAZIBTZIO-HWKANZROSA-N. The full InChI is InChI=1S/C13H14F12O/c1-2-3-5-8(14,15)10(18,19)12(22,23)13(24,25)11(20,21)9(16,17)6-4-7-26/h3,5,26H,2,4,6-7H2,1H3/b5-3+.
What are the key properties of (E)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridec-10-en-1-ol?
(E)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridec-10-en-1-ol has a molecular weight of 414.23 g/mol, XLogP of 5.54, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorotridec-10-en-1-ol is sourced from PubChem (CID 121403330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).