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

C8H7F9 — CID 23384626

IUPAC1,1,1-trifluoro-4-methyl-2,3-bis(trifluoromethyl)pent-2-ene
SMILESCC(C)C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F9/c1-3(2)4(6(9,10)11)5(7(12,13)14)8(15,16)17/h3H,1-2H3
InChIKeyUKTLCWBORWUBGQ-UHFFFAOYSA-N
MW274.13 g/mol
LogP4.63
Rot. Bonds1

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

1,1,1-trifluoro-4-methyl-2,3-bis(trifluoromethyl)pent-2-ene (PubChem CID 23384626) has the molecular formula C8H7F9 and a molecular weight of 274.13 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methyl-2,3-bis(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methyl-2,3-bis(trifluoromethyl)pent-2-ene
PubChem CID23384626
Molecular FormulaC8H7F9
Molecular Weight274.13 g/mol
Exact Mass274.04
IUPAC Name1,1,1-trifluoro-4-methyl-2,3-bis(trifluoromethyl)pent-2-ene
SMILESCC(C)C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F9/c1-3(2)4(6(9,10)11)5(7(12,13)14)8(15,16)17/h3H,1-2H3
InChIKeyUKTLCWBORWUBGQ-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 54.63
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 1,1,1-trifluoro-4-methyl-2,3-bis(trifluoromethyl)pent-2-ene?
The IUPAC name of 1,1,1-trifluoro-4-methyl-2,3-bis(trifluoromethyl)pent-2-ene (CID 23384626) is 1,1,1-trifluoro-4-methyl-2,3-bis(trifluoromethyl)pent-2-ene.
What is the SMILES notation for 1,1,1-trifluoro-4-methyl-2,3-bis(trifluoromethyl)pent-2-ene?
The canonical SMILES for 1,1,1-trifluoro-4-methyl-2,3-bis(trifluoromethyl)pent-2-ene is CC(C)C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methyl-2,3-bis(trifluoromethyl)pent-2-ene?
The InChIKey is UKTLCWBORWUBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F9/c1-3(2)4(6(9,10)11)5(7(12,13)14)8(15,16)17/h3H,1-2H3.
What are the key properties of 1,1,1-trifluoro-4-methyl-2,3-bis(trifluoromethyl)pent-2-ene?
1,1,1-trifluoro-4-methyl-2,3-bis(trifluoromethyl)pent-2-ene has a molecular weight of 274.13 g/mol, XLogP of 4.63, 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-4-methyl-2,3-bis(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 23384626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).