5,5,5-trifluoro-3,4,4-trimethylpenta-1,2-diene

C8H11F3 — CID 162579150

IUPAC5,5,5-trifluoro-3,4,4-trimethylpenta-1,2-diene
SMILESC=C=C(C)C(C)(C)C(F)(F)F
InChIInChI=1S/C8H11F3/c1-5-6(2)7(3,4)8(9,10)11/h1H2,2-4H3
InChIKeyKLRNONFAAJLPMF-UHFFFAOYSA-N
MW164.17 g/mol
LogP3.31
Rot. Bonds1

About 5,5,5-trifluoro-3,4,4-trimethylpenta-1,2-diene

5,5,5-trifluoro-3,4,4-trimethylpenta-1,2-diene (PubChem CID 162579150) has the molecular formula C8H11F3 and a molecular weight of 164.17 g/mol. Its IUPAC name is 5,5,5-trifluoro-3,4,4-trimethylpenta-1,2-diene.

Molecular Properties

Compound Name5,5,5-trifluoro-3,4,4-trimethylpenta-1,2-diene
PubChem CID162579150
Molecular FormulaC8H11F3
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name5,5,5-trifluoro-3,4,4-trimethylpenta-1,2-diene
SMILESC=C=C(C)C(C)(C)C(F)(F)F
InChIInChI=1S/C8H11F3/c1-5-6(2)7(3,4)8(9,10)11/h1H2,2-4H3
InChIKeyKLRNONFAAJLPMF-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-3,4,4-trimethylpenta-1,2-diene?
The IUPAC name of 5,5,5-trifluoro-3,4,4-trimethylpenta-1,2-diene (CID 162579150) is 5,5,5-trifluoro-3,4,4-trimethylpenta-1,2-diene.
What is the SMILES notation for 5,5,5-trifluoro-3,4,4-trimethylpenta-1,2-diene?
The canonical SMILES for 5,5,5-trifluoro-3,4,4-trimethylpenta-1,2-diene is C=C=C(C)C(C)(C)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-3,4,4-trimethylpenta-1,2-diene?
The InChIKey is KLRNONFAAJLPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3/c1-5-6(2)7(3,4)8(9,10)11/h1H2,2-4H3.
What are the key properties of 5,5,5-trifluoro-3,4,4-trimethylpenta-1,2-diene?
5,5,5-trifluoro-3,4,4-trimethylpenta-1,2-diene has a molecular weight of 164.17 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-3,4,4-trimethylpenta-1,2-diene is sourced from PubChem (CID 162579150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).