8,8,8-trifluorooct-1-ene

C8H13F3 — CID 11008282

IUPAC8,8,8-trifluorooct-1-ene
SMILESC=CCCCCCC(F)(F)F
InChIInChI=1S/C8H13F3/c1-2-3-4-5-6-7-8(9,10)11/h2H,1,3-7H2
InChIKeyDHJCMDIDXIUWQC-UHFFFAOYSA-N
MW166.19 g/mol
LogP3.69
Rot. Bonds5

About 8,8,8-trifluorooct-1-ene

8,8,8-trifluorooct-1-ene (PubChem CID 11008282) has the molecular formula C8H13F3 and a molecular weight of 166.19 g/mol. Its IUPAC name is 8,8,8-trifluorooct-1-ene.

Molecular Properties

Compound Name8,8,8-trifluorooct-1-ene
PubChem CID11008282
Molecular FormulaC8H13F3
Molecular Weight166.19 g/mol
Exact Mass166.10
IUPAC Name8,8,8-trifluorooct-1-ene
SMILESC=CCCCCCC(F)(F)F
InChIInChI=1S/C8H13F3/c1-2-3-4-5-6-7-8(9,10)11/h2H,1,3-7H2
InChIKeyDHJCMDIDXIUWQC-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-7-methyloct-1-ene
CID 87159398
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-1-ene
CID 88655212
8,8,8-trifluoro-7,7-dimethyloct-1-ene
CID 162603112
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotetradec-13-en-1-ol
CID 121403327
1,1-dichloroundec-10-enylsilane
CID 173198641
CID 22229031
CID 22229031
2-(hydroxymethyl)-2-non-8-enylpropane-1,3-diol
CID 11521477
4,4-dimethylhenicosa-1,20-diene
CID 173392641
2-ethyl-2-fluoronon-8-enoic acid
CID 166852620
14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene
CID 20579544

Frequently Asked Questions

What is the IUPAC name of 8,8,8-trifluorooct-1-ene?
The IUPAC name of 8,8,8-trifluorooct-1-ene (CID 11008282) is 8,8,8-trifluorooct-1-ene.
What is the SMILES notation for 8,8,8-trifluorooct-1-ene?
The canonical SMILES for 8,8,8-trifluorooct-1-ene is C=CCCCCCC(F)(F)F.
What is the InChIKey of 8,8,8-trifluorooct-1-ene?
The InChIKey is DHJCMDIDXIUWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3/c1-2-3-4-5-6-7-8(9,10)11/h2H,1,3-7H2.
What are the key properties of 8,8,8-trifluorooct-1-ene?
8,8,8-trifluorooct-1-ene has a molecular weight of 166.19 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,8-trifluorooct-1-ene is sourced from PubChem (CID 11008282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).