(E)-1-[(E)-3,4-difluorobut-2-enoxy]-1,1,3-trifluoro-2,5-dimethyloct-3-ene

C14H21F5O — CID 146259561

IUPAC(E)-1-[(E)-3,4-difluorobut-2-enoxy]-1,1,3-trifluoro-2,5-dimethyloct-3-ene
SMILESCCCC(C)/C=C(/F)C(C)C(F)(F)OC/C=C(/F)CF
InChIInChI=1S/C14H21F5O/c1-4-5-10(2)8-13(17)11(3)14(18,19)20-7-6-12(16)9-15/h6,8,10-11H,4-5,7,9H2,1-3H3/b12-6+,13-8+
InChIKeyWVNODTPICYMKKD-XTUZQTQMSA-N
MW300.31 g/mol
LogP5.34
Rot. Bonds9

About (E)-1-[(E)-3,4-difluorobut-2-enoxy]-1,1,3-trifluoro-2,5-dimethyloct-3-ene

(E)-1-[(E)-3,4-difluorobut-2-enoxy]-1,1,3-trifluoro-2,5-dimethyloct-3-ene (PubChem CID 146259561) has the molecular formula C14H21F5O and a molecular weight of 300.31 g/mol. Its IUPAC name is (E)-1-[(E)-3,4-difluorobut-2-enoxy]-1,1,3-trifluoro-2,5-dimethyloct-3-ene.

Molecular Properties

Compound Name(E)-1-[(E)-3,4-difluorobut-2-enoxy]-1,1,3-trifluoro-2,5-dimethyloct-3-ene
PubChem CID146259561
Molecular FormulaC14H21F5O
Molecular Weight300.31 g/mol
Exact Mass300.15
IUPAC Name(E)-1-[(E)-3,4-difluorobut-2-enoxy]-1,1,3-trifluoro-2,5-dimethyloct-3-ene
SMILESCCCC(C)/C=C(/F)C(C)C(F)(F)OC/C=C(/F)CF
InChIInChI=1S/C14H21F5O/c1-4-5-10(2)8-13(17)11(3)14(18,19)20-7-6-12(16)9-15/h6,8,10-11H,4-5,7,9H2,1-3H3/b12-6+,13-8+
InChIKeyWVNODTPICYMKKD-XTUZQTQMSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.31
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[(E)-3,4-difluorobut-2-enoxy]-1,1,3-trifluoro-2,5-dimethyloct-3-ene?
The IUPAC name of (E)-1-[(E)-3,4-difluorobut-2-enoxy]-1,1,3-trifluoro-2,5-dimethyloct-3-ene (CID 146259561) is (E)-1-[(E)-3,4-difluorobut-2-enoxy]-1,1,3-trifluoro-2,5-dimethyloct-3-ene.
What is the SMILES notation for (E)-1-[(E)-3,4-difluorobut-2-enoxy]-1,1,3-trifluoro-2,5-dimethyloct-3-ene?
The canonical SMILES for (E)-1-[(E)-3,4-difluorobut-2-enoxy]-1,1,3-trifluoro-2,5-dimethyloct-3-ene is CCCC(C)/C=C(/F)C(C)C(F)(F)OC/C=C(/F)CF.
What is the InChIKey of (E)-1-[(E)-3,4-difluorobut-2-enoxy]-1,1,3-trifluoro-2,5-dimethyloct-3-ene?
The InChIKey is WVNODTPICYMKKD-XTUZQTQMSA-N. The full InChI is InChI=1S/C14H21F5O/c1-4-5-10(2)8-13(17)11(3)14(18,19)20-7-6-12(16)9-15/h6,8,10-11H,4-5,7,9H2,1-3H3/b12-6+,13-8+.
What are the key properties of (E)-1-[(E)-3,4-difluorobut-2-enoxy]-1,1,3-trifluoro-2,5-dimethyloct-3-ene?
(E)-1-[(E)-3,4-difluorobut-2-enoxy]-1,1,3-trifluoro-2,5-dimethyloct-3-ene has a molecular weight of 300.31 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(E)-3,4-difluorobut-2-enoxy]-1,1,3-trifluoro-2,5-dimethyloct-3-ene is sourced from PubChem (CID 146259561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).