1,1,2-trifluoro-3-methylbuta-1,3-diene

C5H5F3 — CID 18520937

IUPAC1,1,2-trifluoro-3-methylbuta-1,3-diene
SMILESC=C(C)C(F)=C(F)F
InChIInChI=1S/C5H5F3/c1-3(2)4(6)5(7)8/h1H2,2H3
InChIKeyLEAVKXWGBWVZTN-UHFFFAOYSA-N
MW122.09 g/mol
LogP2.64
Rot. Bonds1

About 1,1,2-trifluoro-3-methylbuta-1,3-diene

1,1,2-trifluoro-3-methylbuta-1,3-diene (PubChem CID 18520937) has the molecular formula C5H5F3 and a molecular weight of 122.09 g/mol. Its IUPAC name is 1,1,2-trifluoro-3-methylbuta-1,3-diene.

Molecular Properties

Compound Name1,1,2-trifluoro-3-methylbuta-1,3-diene
PubChem CID18520937
Molecular FormulaC5H5F3
Molecular Weight122.09 g/mol
Exact Mass122.03
IUPAC Name1,1,2-trifluoro-3-methylbuta-1,3-diene
SMILESC=C(C)C(F)=C(F)F
InChIInChI=1S/C5H5F3/c1-3(2)4(6)5(7)8/h1H2,2H3
InChIKeyLEAVKXWGBWVZTN-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.09
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,3,4-pentafluoropenta-1,3-diene
CID 72580836
hydron;1,1,2,3-tetrafluorobuta-1,3-diene
CID 88607904
(3Z)-3-chloro-2,4-difluoro-5-methylhexa-1,3,5-triene
CID 144827256
(3E)-3-fluoro-2-methylpenta-1,3-diene
CID 13165650
(3E,5E)-1,1,2,3,4,5,6,7,8,8-decafluoroocta-1,3,5,7-tetraene
CID 101227521
2,3-dimethylbuta-1,3-diene;ethane
CID 156868132
(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
CID 143399324
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
3-fluorobut-3-en-2-one
CID 158766969
ethane;N-[(2E)-1,1,3-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine
CID 156737282
2-methylprop-2-enoic acid;styrene;2,3,3-trifluoroprop-2-enoic acid
CID 158351628
3,4,4-trifluorobut-3-en-2-imine
CID 58488810

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-3-methylbuta-1,3-diene?
The IUPAC name of 1,1,2-trifluoro-3-methylbuta-1,3-diene (CID 18520937) is 1,1,2-trifluoro-3-methylbuta-1,3-diene.
What is the SMILES notation for 1,1,2-trifluoro-3-methylbuta-1,3-diene?
The canonical SMILES for 1,1,2-trifluoro-3-methylbuta-1,3-diene is C=C(C)C(F)=C(F)F.
What is the InChIKey of 1,1,2-trifluoro-3-methylbuta-1,3-diene?
The InChIKey is LEAVKXWGBWVZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3/c1-3(2)4(6)5(7)8/h1H2,2H3.
What are the key properties of 1,1,2-trifluoro-3-methylbuta-1,3-diene?
1,1,2-trifluoro-3-methylbuta-1,3-diene has a molecular weight of 122.09 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-3-methylbuta-1,3-diene is sourced from PubChem (CID 18520937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).