3,4,4,5,5,6,6,7,7,8,8,8-dodecafluoro-3-propan-2-yloct-1-ene

C11H10F12 — CID 23190443

IUPAC3,4,4,5,5,6,6,7,7,8,8,8-dodecafluoro-3-propan-2-yloct-1-ene
SMILESC=CC(F)(C(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F12/c1-4-6(12,5(2)3)7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)23/h4-5H,1H2,2-3H3
InChIKeyZGABEARQYUXBNQ-UHFFFAOYSA-N
MW370.18 g/mol
LogP5.64
Rot. Bonds6

About 3,4,4,5,5,6,6,7,7,8,8,8-dodecafluoro-3-propan-2-yloct-1-ene

3,4,4,5,5,6,6,7,7,8,8,8-dodecafluoro-3-propan-2-yloct-1-ene (PubChem CID 23190443) has the molecular formula C11H10F12 and a molecular weight of 370.18 g/mol. Its IUPAC name is 3,4,4,5,5,6,6,7,7,8,8,8-dodecafluoro-3-propan-2-yloct-1-ene.

Molecular Properties

Compound Name3,4,4,5,5,6,6,7,7,8,8,8-dodecafluoro-3-propan-2-yloct-1-ene
PubChem CID23190443
Molecular FormulaC11H10F12
Molecular Weight370.18 g/mol
Exact Mass370.06
IUPAC Name3,4,4,5,5,6,6,7,7,8,8,8-dodecafluoro-3-propan-2-yloct-1-ene
SMILESC=CC(F)(C(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H10F12/c1-4-6(12,5(2)3)7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)23/h4-5H,1H2,2-3H3
InChIKeyZGABEARQYUXBNQ-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.18
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-dodecafluoro-3-propan-2-yloct-1-ene?
The IUPAC name of 3,4,4,5,5,6,6,7,7,8,8,8-dodecafluoro-3-propan-2-yloct-1-ene (CID 23190443) is 3,4,4,5,5,6,6,7,7,8,8,8-dodecafluoro-3-propan-2-yloct-1-ene.
What is the SMILES notation for 3,4,4,5,5,6,6,7,7,8,8,8-dodecafluoro-3-propan-2-yloct-1-ene?
The canonical SMILES for 3,4,4,5,5,6,6,7,7,8,8,8-dodecafluoro-3-propan-2-yloct-1-ene is C=CC(F)(C(C)C)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-dodecafluoro-3-propan-2-yloct-1-ene?
The InChIKey is ZGABEARQYUXBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F12/c1-4-6(12,5(2)3)7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)23/h4-5H,1H2,2-3H3.
What are the key properties of 3,4,4,5,5,6,6,7,7,8,8,8-dodecafluoro-3-propan-2-yloct-1-ene?
3,4,4,5,5,6,6,7,7,8,8,8-dodecafluoro-3-propan-2-yloct-1-ene has a molecular weight of 370.18 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5,5,6,6,7,7,8,8,8-dodecafluoro-3-propan-2-yloct-1-ene is sourced from PubChem (CID 23190443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).