8,8,8-trifluoro-7,7-dimethyloct-1-ene

C10H17F3 — CID 162603112

IUPAC8,8,8-trifluoro-7,7-dimethyloct-1-ene
SMILESC=CCCCCC(C)(C)C(F)(F)F
InChIInChI=1S/C10H17F3/c1-4-5-6-7-8-9(2,3)10(11,12)13/h4H,1,5-8H2,2-3H3
InChIKeyMVXMUPPZPZEUJK-UHFFFAOYSA-N
MW194.24 g/mol
LogP4.32
Rot. Bonds5

About 8,8,8-trifluoro-7,7-dimethyloct-1-ene

8,8,8-trifluoro-7,7-dimethyloct-1-ene (PubChem CID 162603112) has the molecular formula C10H17F3 and a molecular weight of 194.24 g/mol. Its IUPAC name is 8,8,8-trifluoro-7,7-dimethyloct-1-ene.

Molecular Properties

Compound Name8,8,8-trifluoro-7,7-dimethyloct-1-ene
PubChem CID162603112
Molecular FormulaC10H17F3
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name8,8,8-trifluoro-7,7-dimethyloct-1-ene
SMILESC=CCCCCC(C)(C)C(F)(F)F
InChIInChI=1S/C10H17F3/c1-4-5-6-7-8-9(2,3)10(11,12)13/h4H,1,5-8H2,2-3H3
InChIKeyMVXMUPPZPZEUJK-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 54.32
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
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CID 15425796
8,8,8-trifluorooct-1-ene
CID 11008282
1,1,1-trifluoro-2,2-dimethylheptane
CID 139399706
8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-1-ene
CID 88655212
4,4-dimethylhenicosa-1,20-diene
CID 173392641
14,14,15,15,15-pentafluoro-8-methylpentadec-1-ene
CID 20579544
methyl 2-fluoro-2-methylnon-8-enoate
CID 146260741
3,3-dimethyldec-9-en-1-amine
CID 107010664
heptadeca-1,16-diene
CID 6429392
heptacosa-1,26-diene
CID 58905535
7,7,10-trimethylundec-1-ene
CID 173422023

Frequently Asked Questions

What is the IUPAC name of 8,8,8-trifluoro-7,7-dimethyloct-1-ene?
The IUPAC name of 8,8,8-trifluoro-7,7-dimethyloct-1-ene (CID 162603112) is 8,8,8-trifluoro-7,7-dimethyloct-1-ene.
What is the SMILES notation for 8,8,8-trifluoro-7,7-dimethyloct-1-ene?
The canonical SMILES for 8,8,8-trifluoro-7,7-dimethyloct-1-ene is C=CCCCCC(C)(C)C(F)(F)F.
What is the InChIKey of 8,8,8-trifluoro-7,7-dimethyloct-1-ene?
The InChIKey is MVXMUPPZPZEUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3/c1-4-5-6-7-8-9(2,3)10(11,12)13/h4H,1,5-8H2,2-3H3.
What are the key properties of 8,8,8-trifluoro-7,7-dimethyloct-1-ene?
8,8,8-trifluoro-7,7-dimethyloct-1-ene has a molecular weight of 194.24 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,8-trifluoro-7,7-dimethyloct-1-ene is sourced from PubChem (CID 162603112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).