3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-en-1-ol

C8H4F12O — CID 72781455

IUPAC3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-en-1-ol
SMILESOCC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H4F12O/c9-3(1-2-21)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)20/h1,21H,2H2
InChIKeyRIRNSDSPUYRGOI-UHFFFAOYSA-N
MW344.10 g/mol
LogP3.94
Rot. Bonds5

About 3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-en-1-ol

3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-en-1-ol (PubChem CID 72781455) has the molecular formula C8H4F12O and a molecular weight of 344.10 g/mol. Its IUPAC name is 3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-en-1-ol.

Molecular Properties

Compound Name3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-en-1-ol
PubChem CID72781455
Molecular FormulaC8H4F12O
Molecular Weight344.10 g/mol
Exact Mass344.01
IUPAC Name3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-en-1-ol
SMILESOCC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H4F12O/c9-3(1-2-21)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)20/h1,21H,2H2
InChIKeyRIRNSDSPUYRGOI-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.10
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-en-1-ol?
The IUPAC name of 3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-en-1-ol (CID 72781455) is 3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-en-1-ol.
What is the SMILES notation for 3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-en-1-ol?
The canonical SMILES for 3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-en-1-ol is OCC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-en-1-ol?
The InChIKey is RIRNSDSPUYRGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F12O/c9-3(1-2-21)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)20/h1,21H,2H2.
What are the key properties of 3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-en-1-ol?
3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-en-1-ol has a molecular weight of 344.10 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-2-en-1-ol is sourced from PubChem (CID 72781455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).