(1E)-1-Ethoxy-3,3,3-trifluoro-1-propene

C5H7F3O — CID 14386937

IUPAC(E)-1-ethoxy-3,3,3-trifluoroprop-1-ene
SMILESCCO/C=C/C(F)(F)F
InChIInChI=1S/C5H7F3O/c1-2-9-4-3-5(6,7)8/h3-4H,2H2,1H3/b4-3+
InChIKeyCXPDIKCBUPMVRN-ONEGZZNKSA-N
MW140.10 g/mol
LogP1.90
Rot. Bonds2

About (1E)-1-Ethoxy-3,3,3-trifluoro-1-propene

(1E)-1-Ethoxy-3,3,3-trifluoro-1-propene (PubChem CID 14386937) has the molecular formula C5H7F3O and a molecular weight of 140.10 g/mol. Its IUPAC name is (E)-1-ethoxy-3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name(1E)-1-Ethoxy-3,3,3-trifluoro-1-propene
PubChem CID14386937
Molecular FormulaC5H7F3O
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name(E)-1-ethoxy-3,3,3-trifluoroprop-1-ene
SMILESCCO/C=C/C(F)(F)F
InChIInChI=1S/C5H7F3O/c1-2-9-4-3-5(6,7)8/h3-4H,2H2,1H3/b4-3+
InChIKeyCXPDIKCBUPMVRN-ONEGZZNKSA-N
XLogP1.90
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity94

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-Methoxy-3,3,3-trifluoroprop-1-ene
CID 11116063
1-Methoxy-3,3,3-trifluoropropene
CID 5709611
Perfluoroisopropyl propenyl ether
CID 73876896
Bromozinc(1+);1-ethoxy-3,3,3-trifluoroprop-1-ene
CID 134898169
cis-1-Methoxy-3,3,3-trifluoropropene
CID 2782383
(1E)-1-Ethoxy-3,3,3-trifluoroprop-1-ene
CID 10960377
2-methyl-1-[(Z)-3,3,3-trifluoroprop-1-enoxy]propane
CID 11116446
(Z)-1-ethoxy-3,3,3-trifluoroprop-1-ene
CID 14386936
(E)-1-(2,2,2-trifluoroethoxy)prop-1-ene
CID 21721202
1,1,1,2,3,3,3-heptafluoro-2-[(E)-prop-1-enoxy]propane
CID 22223365
1,1,1,3,3,3-Hexafluoro-2-prop-1-enoxypropane
CID 53898992
1,1,1,3,3-Pentafluoro-2-prop-1-enoxypropane
CID 54306181

Frequently Asked Questions

What is the IUPAC name of (1E)-1-Ethoxy-3,3,3-trifluoro-1-propene?
The IUPAC name of (1E)-1-Ethoxy-3,3,3-trifluoro-1-propene (CID 14386937) is (E)-1-ethoxy-3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for (1E)-1-Ethoxy-3,3,3-trifluoro-1-propene?
The canonical SMILES for (1E)-1-Ethoxy-3,3,3-trifluoro-1-propene is CCO/C=C/C(F)(F)F.
What is the InChIKey of (1E)-1-Ethoxy-3,3,3-trifluoro-1-propene?
The InChIKey is CXPDIKCBUPMVRN-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H7F3O/c1-2-9-4-3-5(6,7)8/h3-4H,2H2,1H3/b4-3+.
What are the key properties of (1E)-1-Ethoxy-3,3,3-trifluoro-1-propene?
(1E)-1-Ethoxy-3,3,3-trifluoro-1-propene has a molecular weight of 140.10 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-Ethoxy-3,3,3-trifluoro-1-propene is sourced from PubChem (CID 14386937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).