4,4,4-trifluoro-2-methylbut-1-ene

C5H7F3 — CID 14985016

IUPAC4,4,4-trifluoro-2-methylbut-1-ene
SMILESC=C(C)CC(F)(F)F
InChIInChI=1S/C5H7F3/c1-4(2)3-5(6,7)8/h1,3H2,2H3
InChIKeyZUUPNCDCMMNBIX-UHFFFAOYSA-N
MW124.10 g/mol
LogP2.51
Rot. Bonds1

About 4,4,4-trifluoro-2-methylbut-1-ene

4,4,4-trifluoro-2-methylbut-1-ene (PubChem CID 14985016) has the molecular formula C5H7F3 and a molecular weight of 124.10 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-methylbut-1-ene.

Molecular Properties

Compound Name4,4,4-trifluoro-2-methylbut-1-ene
PubChem CID14985016
Molecular FormulaC5H7F3
Molecular Weight124.10 g/mol
Exact Mass124.05
IUPAC Name4,4,4-trifluoro-2-methylbut-1-ene
SMILESC=C(C)CC(F)(F)F
InChIInChI=1S/C5H7F3/c1-4(2)3-5(6,7)8/h1,3H2,2H3
InChIKeyZUUPNCDCMMNBIX-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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
2-Fluoro-3-methylbuta-1,3-diene
CID 12586002
1,1-Difluoro-2-methylenecyclopropane
CID 12590905
1,1-Difluoro-2-(trifluoromethyl)but-1-ene
CID 13115975
1-Butene, 1,1-difluoro-2-methyl-
CID 10975428
1,1-Difluoro-3-methyl-1,3-butadiene
CID 13759165
2-(Trifluoromethyl)but-1-ene
CID 20793150
3,3-Difluoro-2-methylbut-1-ene
CID 88272296
2-Methyl-3,3,4,4,5,5,5-heptafluoro-pent-1-ene
CID 19091131
(E)-1,3,3,3-tetrafluoro-2-methylprop-1-ene
CID 23236243
4-Fluoro-2-methyl-1-butene
CID 13669111
4,4-Difluoro-2-methylbut-1-ene
CID 14092773

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-methylbut-1-ene?
The IUPAC name of 4,4,4-trifluoro-2-methylbut-1-ene (CID 14985016) is 4,4,4-trifluoro-2-methylbut-1-ene.
What is the SMILES notation for 4,4,4-trifluoro-2-methylbut-1-ene?
The canonical SMILES for 4,4,4-trifluoro-2-methylbut-1-ene is C=C(C)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2-methylbut-1-ene?
The InChIKey is ZUUPNCDCMMNBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3/c1-4(2)3-5(6,7)8/h1,3H2,2H3.
What are the key properties of 4,4,4-trifluoro-2-methylbut-1-ene?
4,4,4-trifluoro-2-methylbut-1-ene has a molecular weight of 124.10 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-methylbut-1-ene is sourced from PubChem (CID 14985016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).