5-fluoro-2,4,4-trimethylpent-1-ene

C8H15F — CID 123504071

IUPAC5-fluoro-2,4,4-trimethylpent-1-ene
SMILESC=C(C)CC(C)(C)CF
InChIInChI=1S/C8H15F/c1-7(2)5-8(3,4)6-9/h1,5-6H2,2-4H3
InChIKeyYYBPTHFHFBXONL-UHFFFAOYSA-N
MW130.21 g/mol
LogP2.95
Rot. Bonds3

About 5-fluoro-2,4,4-trimethylpent-1-ene

5-fluoro-2,4,4-trimethylpent-1-ene (PubChem CID 123504071) has the molecular formula C8H15F and a molecular weight of 130.21 g/mol. Its IUPAC name is 5-fluoro-2,4,4-trimethylpent-1-ene.

Molecular Properties

Compound Name5-fluoro-2,4,4-trimethylpent-1-ene
PubChem CID123504071
Molecular FormulaC8H15F
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name5-fluoro-2,4,4-trimethylpent-1-ene
SMILESC=C(C)CC(C)(C)CF
InChIInChI=1S/C8H15F/c1-7(2)5-8(3,4)6-9/h1,5-6H2,2-4H3
InChIKeyYYBPTHFHFBXONL-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4,4-trimethylpent-1-ene?
The IUPAC name of 5-fluoro-2,4,4-trimethylpent-1-ene (CID 123504071) is 5-fluoro-2,4,4-trimethylpent-1-ene.
What is the SMILES notation for 5-fluoro-2,4,4-trimethylpent-1-ene?
The canonical SMILES for 5-fluoro-2,4,4-trimethylpent-1-ene is C=C(C)CC(C)(C)CF.
What is the InChIKey of 5-fluoro-2,4,4-trimethylpent-1-ene?
The InChIKey is YYBPTHFHFBXONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F/c1-7(2)5-8(3,4)6-9/h1,5-6H2,2-4H3.
What are the key properties of 5-fluoro-2,4,4-trimethylpent-1-ene?
5-fluoro-2,4,4-trimethylpent-1-ene has a molecular weight of 130.21 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4,4-trimethylpent-1-ene is sourced from PubChem (CID 123504071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).