1-ethoxy-3,3,3-trifluoroprop-1-ene

C5H7F3O — CID 10960377

IUPAC1-ethoxy-3,3,3-trifluoroprop-1-ene
SMILESCCOC=CC(F)(F)F
InChIInChI=1S/C5H7F3O/c1-2-9-4-3-5(6,7)8/h3-4H,2H2,1H3
InChIKeyCXPDIKCBUPMVRN-UHFFFAOYSA-N
MW140.10 g/mol
LogP2.10
Rot. Bonds2

About 1-ethoxy-3,3,3-trifluoroprop-1-ene

1-ethoxy-3,3,3-trifluoroprop-1-ene (PubChem CID 10960377) has the molecular formula C5H7F3O and a molecular weight of 140.10 g/mol. Its IUPAC name is 1-ethoxy-3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name1-ethoxy-3,3,3-trifluoroprop-1-ene
PubChem CID10960377
Molecular FormulaC5H7F3O
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name1-ethoxy-3,3,3-trifluoroprop-1-ene
SMILESCCOC=CC(F)(F)F
InChIInChI=1S/C5H7F3O/c1-2-9-4-3-5(6,7)8/h3-4H,2H2,1H3
InChIKeyCXPDIKCBUPMVRN-UHFFFAOYSA-N
XLogP2.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 52.10
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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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3,3,3-trifluoroprop-1-ene?
The IUPAC name of 1-ethoxy-3,3,3-trifluoroprop-1-ene (CID 10960377) is 1-ethoxy-3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for 1-ethoxy-3,3,3-trifluoroprop-1-ene?
The canonical SMILES for 1-ethoxy-3,3,3-trifluoroprop-1-ene is CCOC=CC(F)(F)F.
What is the InChIKey of 1-ethoxy-3,3,3-trifluoroprop-1-ene?
The InChIKey is CXPDIKCBUPMVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O/c1-2-9-4-3-5(6,7)8/h3-4H,2H2,1H3.
What are the key properties of 1-ethoxy-3,3,3-trifluoroprop-1-ene?
1-ethoxy-3,3,3-trifluoroprop-1-ene has a molecular weight of 140.10 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 10960377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).