4,4-bis(fluoromethyl)hex-1-ene

C8H14F2 — CID 86644173

IUPAC4,4-bis(fluoromethyl)hex-1-ene
SMILESC=CCC(CC)(CF)CF
InChIInChI=1S/C8H14F2/c1-3-5-8(4-2,6-9)7-10/h3H,1,4-7H2,2H3
InChIKeyNQZVXIHYMJXZGI-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.90
Rot. Bonds5

About 4,4-bis(fluoromethyl)hex-1-ene

4,4-bis(fluoromethyl)hex-1-ene (PubChem CID 86644173) has the molecular formula C8H14F2 and a molecular weight of 148.20 g/mol. Its IUPAC name is 4,4-bis(fluoromethyl)hex-1-ene.

Molecular Properties

Compound Name4,4-bis(fluoromethyl)hex-1-ene
PubChem CID86644173
Molecular FormulaC8H14F2
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name4,4-bis(fluoromethyl)hex-1-ene
SMILESC=CCC(CC)(CF)CF
InChIInChI=1S/C8H14F2/c1-3-5-8(4-2,6-9)7-10/h3H,1,4-7H2,2H3
InChIKeyNQZVXIHYMJXZGI-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.90
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 4,4-bis(fluoromethyl)hex-1-ene?
The IUPAC name of 4,4-bis(fluoromethyl)hex-1-ene (CID 86644173) is 4,4-bis(fluoromethyl)hex-1-ene.
What is the SMILES notation for 4,4-bis(fluoromethyl)hex-1-ene?
The canonical SMILES for 4,4-bis(fluoromethyl)hex-1-ene is C=CCC(CC)(CF)CF.
What is the InChIKey of 4,4-bis(fluoromethyl)hex-1-ene?
The InChIKey is NQZVXIHYMJXZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2/c1-3-5-8(4-2,6-9)7-10/h3H,1,4-7H2,2H3.
What are the key properties of 4,4-bis(fluoromethyl)hex-1-ene?
4,4-bis(fluoromethyl)hex-1-ene has a molecular weight of 148.20 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(fluoromethyl)hex-1-ene is sourced from PubChem (CID 86644173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).