(E)-1,1,2,3,4,4-hexafluoro-1-methoxybut-2-ene

C5H4F6O — CID 121361198

IUPAC(E)-1,1,2,3,4,4-hexafluoro-1-methoxybut-2-ene
SMILESCOC(F)(F)/C(F)=C(\F)C(F)F
InChIInChI=1S/C5H4F6O/c1-12-5(10,11)3(7)2(6)4(8)9/h4H,1H3/b3-2+
InChIKeyJCMCHLZADPCQMS-NSCUHMNNSA-N
MW194.07 g/mol
LogP2.64
Rot. Bonds3

About (E)-1,1,2,3,4,4-hexafluoro-1-methoxybut-2-ene

(E)-1,1,2,3,4,4-hexafluoro-1-methoxybut-2-ene (PubChem CID 121361198) has the molecular formula C5H4F6O and a molecular weight of 194.07 g/mol. Its IUPAC name is (E)-1,1,2,3,4,4-hexafluoro-1-methoxybut-2-ene.

Molecular Properties

Compound Name(E)-1,1,2,3,4,4-hexafluoro-1-methoxybut-2-ene
PubChem CID121361198
Molecular FormulaC5H4F6O
Molecular Weight194.07 g/mol
Exact Mass194.02
IUPAC Name(E)-1,1,2,3,4,4-hexafluoro-1-methoxybut-2-ene
SMILESCOC(F)(F)/C(F)=C(\F)C(F)F
InChIInChI=1S/C5H4F6O/c1-12-5(10,11)3(7)2(6)4(8)9/h4H,1H3/b3-2+
InChIKeyJCMCHLZADPCQMS-NSCUHMNNSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 52.64
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-propoxybut-2-ene
CID 121361199
1,1,2,3-Tetrafluoro-1-methoxybut-2-ene
CID 123837063

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,2,3,4,4-hexafluoro-1-methoxybut-2-ene?
The IUPAC name of (E)-1,1,2,3,4,4-hexafluoro-1-methoxybut-2-ene (CID 121361198) is (E)-1,1,2,3,4,4-hexafluoro-1-methoxybut-2-ene.
What is the SMILES notation for (E)-1,1,2,3,4,4-hexafluoro-1-methoxybut-2-ene?
The canonical SMILES for (E)-1,1,2,3,4,4-hexafluoro-1-methoxybut-2-ene is COC(F)(F)/C(F)=C(\F)C(F)F.
What is the InChIKey of (E)-1,1,2,3,4,4-hexafluoro-1-methoxybut-2-ene?
The InChIKey is JCMCHLZADPCQMS-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H4F6O/c1-12-5(10,11)3(7)2(6)4(8)9/h4H,1H3/b3-2+.
What are the key properties of (E)-1,1,2,3,4,4-hexafluoro-1-methoxybut-2-ene?
(E)-1,1,2,3,4,4-hexafluoro-1-methoxybut-2-ene has a molecular weight of 194.07 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,2,3,4,4-hexafluoro-1-methoxybut-2-ene is sourced from PubChem (CID 121361198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).