1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene

C6H5F7O — CID 9674

IUPAC1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene
SMILESCCOC(F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F7O/c1-2-14-4(7)3(5(8,9)10)6(11,12)13/h2H2,1H3
InChIKeyBSZWZZSFVRISOG-UHFFFAOYSA-N
MW226.09 g/mol
LogP3.33
Rot. Bonds2

About 1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene

1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene (PubChem CID 9674) has the molecular formula C6H5F7O and a molecular weight of 226.09 g/mol. Its IUPAC name is 1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene.

Molecular Properties

Compound Name1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene
PubChem CID9674
Molecular FormulaC6H5F7O
Molecular Weight226.09 g/mol
Exact Mass226.02
IUPAC Name1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene
SMILESCCOC(F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F7O/c1-2-14-4(7)3(5(8,9)10)6(11,12)13/h2H2,1H3
InChIKeyBSZWZZSFVRISOG-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1,3,3,3-Tetrafluoro-1-methoxy-2-(trifluoromethyl)-1-propene
CID 9672
(E)-1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene
CID 11137645
3-Ethoxyperfluoro-2-methyl-2-butene
CID 13267236
2,2,2',2'-Tetrakis(trifluoromethyl)divinyl ether
CID 15653759
Ethyl pentafluoropropenyl ether
CID 85412315
3,3,3-Trifluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene
CID 13931021
(E)-1,3,3,3-tetrafluoro-1-methoxy-2-methylprop-1-ene
CID 87075366
Methyl 2-methyltetrafluoropropenyl ether
CID 86208675
(Z)-1-ethoxy-1,2,3,3,3-pentafluoroprop-1-ene
CID 134893909
2,2,2-Trifluoroethyl 2-methyl-1-propenyl ether
CID 20344554
1,3,3,3-Tetrafluoro-1-propoxy-2-(trifluoromethyl)prop-1-ene
CID 23233543
1,3,3,3-Tetrafluoro-2-(fluoromethyl)-1-methoxyprop-1-ene
CID 53968247

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene?
The IUPAC name of 1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene (CID 9674) is 1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene.
What is the SMILES notation for 1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene?
The canonical SMILES for 1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene is CCOC(F)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene?
The InChIKey is BSZWZZSFVRISOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O/c1-2-14-4(7)3(5(8,9)10)6(11,12)13/h2H2,1H3.
What are the key properties of 1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene?
1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene has a molecular weight of 226.09 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-ene is sourced from PubChem (CID 9674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).