1,1,2,3-tetrafluoro-1-methoxybut-2-ene

C5H6F4O — CID 123837063

IUPAC1,1,2,3-tetrafluoro-1-methoxybut-2-ene
SMILESCOC(F)(F)C(F)=C(C)F
InChIInChI=1S/C5H6F4O/c1-3(6)4(7)5(8,9)10-2/h1-2H3
InChIKeyHEHKPLPXTFVIDJ-UHFFFAOYSA-N
MW158.09 g/mol
LogP2.40
Rot. Bonds2

About 1,1,2,3-tetrafluoro-1-methoxybut-2-ene

1,1,2,3-tetrafluoro-1-methoxybut-2-ene (PubChem CID 123837063) has the molecular formula C5H6F4O and a molecular weight of 158.09 g/mol. Its IUPAC name is 1,1,2,3-tetrafluoro-1-methoxybut-2-ene.

Molecular Properties

Compound Name1,1,2,3-tetrafluoro-1-methoxybut-2-ene
PubChem CID123837063
Molecular FormulaC5H6F4O
Molecular Weight158.09 g/mol
Exact Mass158.04
IUPAC Name1,1,2,3-tetrafluoro-1-methoxybut-2-ene
SMILESCOC(F)(F)C(F)=C(C)F
InChIInChI=1S/C5H6F4O/c1-3(6)4(7)5(8,9)10-2/h1-2H3
InChIKeyHEHKPLPXTFVIDJ-UHFFFAOYSA-N
XLogP2.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.09
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethoxytetrafluoro-(trifluoromethyl)propene
CID 129804683
3-Ethoxy-1,1,2,3,3-pentafluoroprop-1-ene
CID 21733009
(E)-1,1,1,2,3,4,4-heptafluoro-4-methoxybut-2-ene
CID 9837233
1,1,3,3-Tetrafluoro-3-methoxyprop-1-ene
CID 86257918
1,1,1,2,3,4,4-Heptafluoro-4-methoxybut-2-ene
CID 85049596
1,1,3,3-Tetrafluoro-2-(fluoromethyl)-3-methoxyprop-1-ene
CID 88418457
(E)-1,1,2,3-tetrafluoro-1-methoxybut-2-ene
CID 89576285
(Z)-1,1,3-trifluoro-1-methoxy-2-methylbut-2-ene
CID 118145002
1,1,2,3,3-Pentafluoro-3-propoxyprop-1-ene
CID 118345036
(E)-1-ethoxy-1,1,2,3,4,4-hexafluorobut-2-ene
CID 121361194
(E)-1,1,2,3,4,4-hexafluoro-1-methoxybut-2-ene
CID 121361198
(E)-1,1,2,3,4,4-hexafluoro-1-propoxybut-2-ene
CID 121361199

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3-tetrafluoro-1-methoxybut-2-ene?
The IUPAC name of 1,1,2,3-tetrafluoro-1-methoxybut-2-ene (CID 123837063) is 1,1,2,3-tetrafluoro-1-methoxybut-2-ene.
What is the SMILES notation for 1,1,2,3-tetrafluoro-1-methoxybut-2-ene?
The canonical SMILES for 1,1,2,3-tetrafluoro-1-methoxybut-2-ene is COC(F)(F)C(F)=C(C)F.
What is the InChIKey of 1,1,2,3-tetrafluoro-1-methoxybut-2-ene?
The InChIKey is HEHKPLPXTFVIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4O/c1-3(6)4(7)5(8,9)10-2/h1-2H3.
What are the key properties of 1,1,2,3-tetrafluoro-1-methoxybut-2-ene?
1,1,2,3-tetrafluoro-1-methoxybut-2-ene has a molecular weight of 158.09 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3-tetrafluoro-1-methoxybut-2-ene is sourced from PubChem (CID 123837063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).