3,3,4,4,4-pentafluoro-2-methylbut-1-ene

C5H5F5 — CID 19091140

IUPAC3,3,4,4,4-pentafluoro-2-methylbut-1-ene
SMILESC=C(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F5/c1-3(2)4(6,7)5(8,9)10/h1H2,2H3
InChIKeyKKNWBTROGCXPMG-UHFFFAOYSA-N
MW160.08 g/mol
LogP2.76
Rot. Bonds1

About 3,3,4,4,4-pentafluoro-2-methylbut-1-ene

3,3,4,4,4-pentafluoro-2-methylbut-1-ene (PubChem CID 19091140) has the molecular formula C5H5F5 and a molecular weight of 160.08 g/mol. Its IUPAC name is 3,3,4,4,4-pentafluoro-2-methylbut-1-ene.

Molecular Properties

Compound Name3,3,4,4,4-pentafluoro-2-methylbut-1-ene
PubChem CID19091140
Molecular FormulaC5H5F5
Molecular Weight160.08 g/mol
Exact Mass160.03
IUPAC Name3,3,4,4,4-pentafluoro-2-methylbut-1-ene
SMILESC=C(C)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F5/c1-3(2)4(6,7)5(8,9)10/h1H2,2H3
InChIKeyKKNWBTROGCXPMG-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.08
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(Trifluoromethyl)propene
CID 136214
1,1-Difluoro-2-(trifluoromethyl)but-1-ene
CID 13115975
2,3-Bis(trifluoromethyl)-1,3-butadiene
CID 85966595
2,4,4,4-Tetrafluorobut-1-ene
CID 11983797
1,1-Difluoro-3-methyl-1,3-butadiene
CID 13759165
4,4,4-Trifluoro-2-methylbut-1-ene
CID 14985016
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
4,4,5,5,5-Pentafluoro-2-(trifluoromethyl)pent-1-ene
CID 71429448
5,5,5-Trifluoro-2-(trifluoromethyl)pent-1-ene
CID 139426621

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,4-pentafluoro-2-methylbut-1-ene?
The IUPAC name of 3,3,4,4,4-pentafluoro-2-methylbut-1-ene (CID 19091140) is 3,3,4,4,4-pentafluoro-2-methylbut-1-ene.
What is the SMILES notation for 3,3,4,4,4-pentafluoro-2-methylbut-1-ene?
The canonical SMILES for 3,3,4,4,4-pentafluoro-2-methylbut-1-ene is C=C(C)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,4-pentafluoro-2-methylbut-1-ene?
The InChIKey is KKNWBTROGCXPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5/c1-3(2)4(6,7)5(8,9)10/h1H2,2H3.
What are the key properties of 3,3,4,4,4-pentafluoro-2-methylbut-1-ene?
3,3,4,4,4-pentafluoro-2-methylbut-1-ene has a molecular weight of 160.08 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,4-pentafluoro-2-methylbut-1-ene is sourced from PubChem (CID 19091140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).