(E)-1,1,2,3,5,5,5-heptafluoro-1-methoxy-4-(trifluoromethyl)pent-2-ene

C7H4F10O — CID 12696166

IUPAC(E)-1,1,2,3,5,5,5-heptafluoro-1-methoxy-4-(trifluoromethyl)pent-2-ene
SMILESCOC(F)(F)/C(F)=C(\F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H4F10O/c1-18-7(16,17)4(9)2(8)3(5(10,11)12)6(13,14)15/h3H,1H3/b4-2+
InChIKeyRQPXNZIZDAANKC-DUXPYHPUSA-N
MW294.09 g/mol
LogP4.12
Rot. Bonds3

About (E)-1,1,2,3,5,5,5-heptafluoro-1-methoxy-4-(trifluoromethyl)pent-2-ene

(E)-1,1,2,3,5,5,5-heptafluoro-1-methoxy-4-(trifluoromethyl)pent-2-ene (PubChem CID 12696166) has the molecular formula C7H4F10O and a molecular weight of 294.09 g/mol. Its IUPAC name is (E)-1,1,2,3,5,5,5-heptafluoro-1-methoxy-4-(trifluoromethyl)pent-2-ene.

Molecular Properties

Compound Name(E)-1,1,2,3,5,5,5-heptafluoro-1-methoxy-4-(trifluoromethyl)pent-2-ene
PubChem CID12696166
Molecular FormulaC7H4F10O
Molecular Weight294.09 g/mol
Exact Mass294.01
IUPAC Name(E)-1,1,2,3,5,5,5-heptafluoro-1-methoxy-4-(trifluoromethyl)pent-2-ene
SMILESCOC(F)(F)/C(F)=C(\F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H4F10O/c1-18-7(16,17)4(9)2(8)3(5(10,11)12)6(13,14)15/h3H,1H3/b4-2+
InChIKeyRQPXNZIZDAANKC-DUXPYHPUSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.09
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,2,3,5,5,5-heptafluoro-1-methoxy-4-(trifluoromethyl)pent-2-ene?
The IUPAC name of (E)-1,1,2,3,5,5,5-heptafluoro-1-methoxy-4-(trifluoromethyl)pent-2-ene (CID 12696166) is (E)-1,1,2,3,5,5,5-heptafluoro-1-methoxy-4-(trifluoromethyl)pent-2-ene.
What is the SMILES notation for (E)-1,1,2,3,5,5,5-heptafluoro-1-methoxy-4-(trifluoromethyl)pent-2-ene?
The canonical SMILES for (E)-1,1,2,3,5,5,5-heptafluoro-1-methoxy-4-(trifluoromethyl)pent-2-ene is COC(F)(F)/C(F)=C(\F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,2,3,5,5,5-heptafluoro-1-methoxy-4-(trifluoromethyl)pent-2-ene?
The InChIKey is RQPXNZIZDAANKC-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H4F10O/c1-18-7(16,17)4(9)2(8)3(5(10,11)12)6(13,14)15/h3H,1H3/b4-2+.
What are the key properties of (E)-1,1,2,3,5,5,5-heptafluoro-1-methoxy-4-(trifluoromethyl)pent-2-ene?
(E)-1,1,2,3,5,5,5-heptafluoro-1-methoxy-4-(trifluoromethyl)pent-2-ene has a molecular weight of 294.09 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,2,3,5,5,5-heptafluoro-1-methoxy-4-(trifluoromethyl)pent-2-ene is sourced from PubChem (CID 12696166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).