(E)-1-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybut-1-ene

C9H14F4O — CID 174018819

IUPAC(E)-1-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybut-1-ene
SMILESC/C(=C\F)CCOC(C)(C)C(F)(F)F
InChIInChI=1S/C9H14F4O/c1-7(6-10)4-5-14-8(2,3)9(11,12)13/h6H,4-5H2,1-3H3/b7-6+
InChIKeyIUGGSYHGFYBBKN-VOTSOKGWSA-N
MW214.20 g/mol
LogP3.61
Rot. Bonds4

About (E)-1-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybut-1-ene

(E)-1-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybut-1-ene (PubChem CID 174018819) has the molecular formula C9H14F4O and a molecular weight of 214.20 g/mol. Its IUPAC name is (E)-1-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybut-1-ene.

Molecular Properties

Compound Name(E)-1-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybut-1-ene
PubChem CID174018819
Molecular FormulaC9H14F4O
Molecular Weight214.20 g/mol
Exact Mass214.10
IUPAC Name(E)-1-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybut-1-ene
SMILESC/C(=C\F)CCOC(C)(C)C(F)(F)F
InChIInChI=1S/C9H14F4O/c1-7(6-10)4-5-14-8(2,3)9(11,12)13/h6H,4-5H2,1-3H3/b7-6+
InChIKeyIUGGSYHGFYBBKN-VOTSOKGWSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-Trifluoro-2-[[2-fluoro-3-(trifluoromethyl)but-3-enoxy]methyl]-2-methylbutane
CID 20793113
3-Fluoro-4-(3,3,3-trifluoro-2,2-dimethylpropoxy)-2-(trifluoromethyl)pent-1-ene
CID 57838217
3,4,4,4-Tetrafluoro-3-(2-methylbutoxymethyl)-2-(trifluoromethyl)but-1-ene
CID 60067208
4-Ethoxy-2-(trifluoromethyl)but-1-ene
CID 118680511
3,3,4-Trifluoro-4-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-2-methylbut-1-ene
CID 124118214
3,3,4-Trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-2-methylbut-1-ene
CID 124118229
4-But-1-en-2-yloxy-1,1,1,3,3-pentafluorobutane
CID 132194883
3,3,4-Trifluoro-4-methoxy-2-methylbut-1-ene
CID 134531024
3,3,4-Trifluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropoxy)-2-methylbut-1-ene
CID 134531027
3,3,4-Trifluoro-4-(1,1,2,3,3,3-hexafluoro-2-methoxypropoxy)-2-methylbut-1-ene
CID 134531035
3,3,4-Trifluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)propoxy]propoxy]-2-methylbut-1-ene
CID 134531086
2-Methyl-4-(1,1,2,2-tetrafluoropropoxy)but-1-ene
CID 139758333

Frequently Asked Questions

What is the IUPAC name of (E)-1-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybut-1-ene?
The IUPAC name of (E)-1-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybut-1-ene (CID 174018819) is (E)-1-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybut-1-ene.
What is the SMILES notation for (E)-1-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybut-1-ene?
The canonical SMILES for (E)-1-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybut-1-ene is C/C(=C\F)CCOC(C)(C)C(F)(F)F.
What is the InChIKey of (E)-1-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybut-1-ene?
The InChIKey is IUGGSYHGFYBBKN-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H14F4O/c1-7(6-10)4-5-14-8(2,3)9(11,12)13/h6H,4-5H2,1-3H3/b7-6+.
What are the key properties of (E)-1-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybut-1-ene?
(E)-1-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybut-1-ene has a molecular weight of 214.20 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-2-methyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybut-1-ene is sourced from PubChem (CID 174018819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).