(E)-1,1,1-trifluoro-2-methylbut-2-ene

C5H7F3 — CID 12578248

IUPAC(E)-1,1,1-trifluoro-2-methylbut-2-ene
SMILESC/C=C(\C)C(F)(F)F
InChIInChI=1S/C5H7F3/c1-3-4(2)5(6,7)8/h3H,1-2H3/b4-3+
InChIKeyAJUYSPOHIUJAFG-ONEGZZNKSA-N
MW124.10 g/mol
LogP2.51
Rot. Bonds

About (E)-1,1,1-trifluoro-2-methylbut-2-ene

(E)-1,1,1-trifluoro-2-methylbut-2-ene (PubChem CID 12578248) has the molecular formula C5H7F3 and a molecular weight of 124.10 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-2-methylbut-2-ene.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-2-methylbut-2-ene
PubChem CID12578248
Molecular FormulaC5H7F3
Molecular Weight124.10 g/mol
Exact Mass124.05
IUPAC Name(E)-1,1,1-trifluoro-2-methylbut-2-ene
SMILESC/C=C(\C)C(F)(F)F
InChIInChI=1S/C5H7F3/c1-3-4(2)5(6,7)8/h3H,1-2H3/b4-3+
InChIKeyAJUYSPOHIUJAFG-ONEGZZNKSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 52.51
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

2-(Trifluoromethyl)propene
CID 136214
(E)-1,1-difluorobut-2-ene
CID 10374416
1,1,1-Trifluoro-2-butene
CID 5708977
(2Z)-1,1,1,3-Tetrafluoro-2-butene
CID 20632078
E-2,4,4,4-Tetrafluoro-2-butene
CID 44717370
Prenyl fluoride
CID 53743473
1,1,1-Trifluoro-4-methylpenta-2,3-diene
CID 57083559
1-(Trifluoromethyl)-1-cyclopropene
CID 57455659
(Z)-1,1-difluorobut-2-ene
CID 10396801
(E)-1,3,3,3-tetrafluoro-2-methylprop-1-ene
CID 23236243
1,1-Difluoro-4-methylpenta-2,3-diene
CID 15710923
1,1,1-Trifluorobut-2-ene
CID 2778679

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-2-methylbut-2-ene?
The IUPAC name of (E)-1,1,1-trifluoro-2-methylbut-2-ene (CID 12578248) is (E)-1,1,1-trifluoro-2-methylbut-2-ene.
What is the SMILES notation for (E)-1,1,1-trifluoro-2-methylbut-2-ene?
The canonical SMILES for (E)-1,1,1-trifluoro-2-methylbut-2-ene is C/C=C(\C)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-2-methylbut-2-ene?
The InChIKey is AJUYSPOHIUJAFG-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H7F3/c1-3-4(2)5(6,7)8/h3H,1-2H3/b4-3+.
What are the key properties of (E)-1,1,1-trifluoro-2-methylbut-2-ene?
(E)-1,1,1-trifluoro-2-methylbut-2-ene has a molecular weight of 124.10 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-2-methylbut-2-ene is sourced from PubChem (CID 12578248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).