1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pent-2-ene

C8H10F6 — CID 23384624

IUPAC1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pent-2-ene
SMILESCC(=C(C(F)(F)F)C(F)(F)F)C(C)C
InChIInChI=1S/C8H10F6/c1-4(2)5(3)6(7(9,10)11)8(12,13)14/h4H,1-3H3
InChIKeyJGSSVDXYPGHUGI-UHFFFAOYSA-N
MW220.16 g/mol
LogP4.08
Rot. Bonds1

About 1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pent-2-ene

1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pent-2-ene (PubChem CID 23384624) has the molecular formula C8H10F6 and a molecular weight of 220.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pent-2-ene
PubChem CID23384624
Molecular FormulaC8H10F6
Molecular Weight220.16 g/mol
Exact Mass220.07
IUPAC Name1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pent-2-ene
SMILESCC(=C(C(F)(F)F)C(F)(F)F)C(C)C
InChIInChI=1S/C8H10F6/c1-4(2)5(3)6(7(9,10)11)8(12,13)14/h4H,1-3H3
InChIKeyJGSSVDXYPGHUGI-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Butylheptafluoroisobutene
CID 23264459
(E)-5,5,5-trifluoro-3-methyl-4-(trifluoromethyl)pent-2-ene
CID 23233541
3,5,5,5-Tetrafluoro-2-methyl-4-(trifluoromethyl)pent-2-ene
CID 23236392
1,1,1-Trifluoro-4-methyl-2-(trifluoromethyl)pent-2-ene
CID 12412838
1,1,1,3-Tetrafluoro-4-methyl-2-(trifluoromethyl)pent-2-ene
CID 23264395
(E)-1,1,1,2-tetrafluoro-3,4-dimethylpent-2-ene
CID 23384616
(Z)-1,1,1,2-tetrafluoro-4-methyl-3-(trifluoromethyl)pent-2-ene
CID 23384617
(Z)-1,1,1,3-tetrafluoro-2,4-dimethylpent-2-ene
CID 23384619
(Z)-1,1,1-trifluoro-2,4-dimethyl-3-(trifluoromethyl)pent-2-ene
CID 23384622
1,1,1-Trifluoro-4-methyl-2,3-bis(trifluoromethyl)pent-2-ene
CID 23384626
(Z)-1,1,1-trifluoro-4-methyl-3-(trifluoromethyl)pent-2-ene
CID 23384627
2,4-Dimethyl-3-(trifluoromethyl)pent-2-ene
CID 23384782

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pent-2-ene (CID 23384624) is 1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pent-2-ene is CC(=C(C(F)(F)F)C(F)(F)F)C(C)C.
What is the InChIKey of 1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pent-2-ene?
The InChIKey is JGSSVDXYPGHUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6/c1-4(2)5(3)6(7(9,10)11)8(12,13)14/h4H,1-3H3.
What are the key properties of 1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pent-2-ene?
1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pent-2-ene has a molecular weight of 220.16 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3,4-dimethyl-2-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 23384624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).