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

C8H14F2 — CID 153345743

IUPAC5,5-difluoro-2,4,4-trimethylpent-1-ene
SMILESC=C(C)CC(C)(C)C(F)F
InChIInChI=1S/C8H14F2/c1-6(2)5-8(3,4)7(9)10/h7H,1,5H2,2-4H3
InChIKeyKHOIVUPBFNCACA-UHFFFAOYSA-N
MW148.20 g/mol
LogP3.24
Rot. Bonds3

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

5,5-difluoro-2,4,4-trimethylpent-1-ene (PubChem CID 153345743) has the molecular formula C8H14F2 and a molecular weight of 148.20 g/mol. Its IUPAC name is 5,5-difluoro-2,4,4-trimethylpent-1-ene.

Molecular Properties

Compound Name5,5-difluoro-2,4,4-trimethylpent-1-ene
PubChem CID153345743
Molecular FormulaC8H14F2
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name5,5-difluoro-2,4,4-trimethylpent-1-ene
SMILESC=C(C)CC(C)(C)C(F)F
InChIInChI=1S/C8H14F2/c1-6(2)5-8(3,4)7(9)10/h7H,1,5H2,2-4H3
InChIKeyKHOIVUPBFNCACA-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 53.24
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 5,5-difluoro-2,4,4-trimethylpent-1-ene?
The IUPAC name of 5,5-difluoro-2,4,4-trimethylpent-1-ene (CID 153345743) is 5,5-difluoro-2,4,4-trimethylpent-1-ene.
What is the SMILES notation for 5,5-difluoro-2,4,4-trimethylpent-1-ene?
The canonical SMILES for 5,5-difluoro-2,4,4-trimethylpent-1-ene is C=C(C)CC(C)(C)C(F)F.
What is the InChIKey of 5,5-difluoro-2,4,4-trimethylpent-1-ene?
The InChIKey is KHOIVUPBFNCACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2/c1-6(2)5-8(3,4)7(9)10/h7H,1,5H2,2-4H3.
What are the key properties of 5,5-difluoro-2,4,4-trimethylpent-1-ene?
5,5-difluoro-2,4,4-trimethylpent-1-ene has a molecular weight of 148.20 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2,4,4-trimethylpent-1-ene is sourced from PubChem (CID 153345743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).