(E)-3,3,3-trifluoro-1,2-dimethoxyprop-1-ene

C5H7F3O2 — CID 130311890

IUPAC(E)-3,3,3-trifluoro-1,2-dimethoxyprop-1-ene
SMILESCO/C=C(/OC)C(F)(F)F
InChIInChI=1S/C5H7F3O2/c1-9-3-4(10-2)5(6,7)8/h3H,1-2H3/b4-3+
InChIKeyMVYNANMZRKZEGT-ONEGZZNKSA-N
MW156.10 g/mol
LogP1.68
Rot. Bonds2

About (E)-3,3,3-trifluoro-1,2-dimethoxyprop-1-ene

(E)-3,3,3-trifluoro-1,2-dimethoxyprop-1-ene (PubChem CID 130311890) has the molecular formula C5H7F3O2 and a molecular weight of 156.10 g/mol. Its IUPAC name is (E)-3,3,3-trifluoro-1,2-dimethoxyprop-1-ene.

Molecular Properties

Compound Name(E)-3,3,3-trifluoro-1,2-dimethoxyprop-1-ene
PubChem CID130311890
Molecular FormulaC5H7F3O2
Molecular Weight156.10 g/mol
Exact Mass156.04
IUPAC Name(E)-3,3,3-trifluoro-1,2-dimethoxyprop-1-ene
SMILESCO/C=C(/OC)C(F)(F)F
InChIInChI=1S/C5H7F3O2/c1-9-3-4(10-2)5(6,7)8/h3H,1-2H3/b4-3+
InChIKeyMVYNANMZRKZEGT-ONEGZZNKSA-N
XLogP1.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-3,3,3-trifluoro-1,2-dimethoxyprop-1-ene?
The IUPAC name of (E)-3,3,3-trifluoro-1,2-dimethoxyprop-1-ene (CID 130311890) is (E)-3,3,3-trifluoro-1,2-dimethoxyprop-1-ene.
What is the SMILES notation for (E)-3,3,3-trifluoro-1,2-dimethoxyprop-1-ene?
The canonical SMILES for (E)-3,3,3-trifluoro-1,2-dimethoxyprop-1-ene is CO/C=C(/OC)C(F)(F)F.
What is the InChIKey of (E)-3,3,3-trifluoro-1,2-dimethoxyprop-1-ene?
The InChIKey is MVYNANMZRKZEGT-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H7F3O2/c1-9-3-4(10-2)5(6,7)8/h3H,1-2H3/b4-3+.
What are the key properties of (E)-3,3,3-trifluoro-1,2-dimethoxyprop-1-ene?
(E)-3,3,3-trifluoro-1,2-dimethoxyprop-1-ene has a molecular weight of 156.10 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3,3-trifluoro-1,2-dimethoxyprop-1-ene is sourced from PubChem (CID 130311890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).