1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooct-1-ene

C8HF15 — CID 12576186

IUPAC1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooct-1-ene
SMILESFC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8HF15/c9-1(2(10)11)4(14,15)6(18,19)8(22,23)7(20,21)5(16,17)3(12)13/h3H
InChIKeyPAAIHHFXTDHQHM-UHFFFAOYSA-N
MW382.07 g/mol
LogP5.51
Rot. Bonds6

About 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooct-1-ene

1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooct-1-ene (PubChem CID 12576186) has the molecular formula C8HF15 and a molecular weight of 382.07 g/mol. Its IUPAC name is 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooct-1-ene.

Molecular Properties

Compound Name1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooct-1-ene
PubChem CID12576186
Molecular FormulaC8HF15
Molecular Weight382.07 g/mol
Exact Mass381.98
IUPAC Name1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooct-1-ene
SMILESFC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8HF15/c9-1(2(10)11)4(14,15)6(18,19)8(22,23)7(20,21)5(16,17)3(12)13/h3H
InChIKeyPAAIHHFXTDHQHM-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.07
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooct-1-ene?
The IUPAC name of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooct-1-ene (CID 12576186) is 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooct-1-ene.
What is the SMILES notation for 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooct-1-ene?
The canonical SMILES for 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooct-1-ene is FC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooct-1-ene?
The InChIKey is PAAIHHFXTDHQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF15/c9-1(2(10)11)4(14,15)6(18,19)8(22,23)7(20,21)5(16,17)3(12)13/h3H.
What are the key properties of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooct-1-ene?
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooct-1-ene has a molecular weight of 382.07 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooct-1-ene is sourced from PubChem (CID 12576186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).