1,1,2-trifluorooct-1-ene

C8H13F3 — CID 2760788

IUPAC1,1,2-trifluorooct-1-ene
SMILESCCCCCCC(F)=C(F)F
InChIInChI=1S/C8H13F3/c1-2-3-4-5-6-7(9)8(10)11/h2-6H2,1H3
InChIKeyQLMNBUGTGFMBBM-UHFFFAOYSA-N
MW166.19 g/mol
LogP4.03
Rot. Bonds5

About 1,1,2-trifluorooct-1-ene

1,1,2-trifluorooct-1-ene (PubChem CID 2760788) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is 1,1,2-trifluorooct-1-ene.

Molecular Properties

Compound Name1,1,2-trifluorooct-1-ene
PubChem CID2760788
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name1,1,2-trifluorooct-1-ene
SMILESCCCCCCC(F)=C(F)F
InChIInChI=1S/C8H13F3/c1-2-3-4-5-6-7(9)8(10)11/h2-6H2,1H3
InChIKeyQLMNBUGTGFMBBM-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluorooct-1-ene?
The IUPAC name of 1,1,2-trifluorooct-1-ene (CID 2760788) is 1,1,2-trifluorooct-1-ene.
What is the SMILES notation for 1,1,2-trifluorooct-1-ene?
The canonical SMILES for 1,1,2-trifluorooct-1-ene is CCCCCCC(F)=C(F)F.
What is the InChIKey of 1,1,2-trifluorooct-1-ene?
The InChIKey is QLMNBUGTGFMBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3/c1-2-3-4-5-6-7(9)8(10)11/h2-6H2,1H3.
What are the key properties of 1,1,2-trifluorooct-1-ene?
1,1,2-trifluorooct-1-ene has a molecular weight of 166.19 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluorooct-1-ene is sourced from PubChem (CID 2760788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).