(E)-1-chloro-3,3,3-trifluoro-1-(trifluoromethoxy)prop-1-ene

C4HClF6O — CID 23236252

IUPAC(E)-1-chloro-3,3,3-trifluoro-1-(trifluoromethoxy)prop-1-ene
SMILESFC(F)(F)/C=C(/Cl)OC(F)(F)F
InChIInChI=1S/C4HClF6O/c5-2(1-3(6,7)8)12-4(9,10)11/h1H/b2-1-
InChIKeyBVBHUMZUVFGDSV-UPHRSURJSA-N
MW214.49 g/mol
LogP3.17
Rot. Bonds1

About (E)-1-chloro-3,3,3-trifluoro-1-(trifluoromethoxy)prop-1-ene

(E)-1-chloro-3,3,3-trifluoro-1-(trifluoromethoxy)prop-1-ene (PubChem CID 23236252) has the molecular formula C4HClF6O and a molecular weight of 214.49 g/mol. Its IUPAC name is (E)-1-chloro-3,3,3-trifluoro-1-(trifluoromethoxy)prop-1-ene.

Molecular Properties

Compound Name(E)-1-chloro-3,3,3-trifluoro-1-(trifluoromethoxy)prop-1-ene
PubChem CID23236252
Molecular FormulaC4HClF6O
Molecular Weight214.49 g/mol
Exact Mass213.96
IUPAC Name(E)-1-chloro-3,3,3-trifluoro-1-(trifluoromethoxy)prop-1-ene
SMILESFC(F)(F)/C=C(/Cl)OC(F)(F)F
InChIInChI=1S/C4HClF6O/c5-2(1-3(6,7)8)12-4(9,10)11/h1H/b2-1-
InChIKeyBVBHUMZUVFGDSV-UPHRSURJSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.49
LogP ≤ 53.17
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 (E)-1-chloro-3,3,3-trifluoro-1-(trifluoromethoxy)prop-1-ene?
The IUPAC name of (E)-1-chloro-3,3,3-trifluoro-1-(trifluoromethoxy)prop-1-ene (CID 23236252) is (E)-1-chloro-3,3,3-trifluoro-1-(trifluoromethoxy)prop-1-ene.
What is the SMILES notation for (E)-1-chloro-3,3,3-trifluoro-1-(trifluoromethoxy)prop-1-ene?
The canonical SMILES for (E)-1-chloro-3,3,3-trifluoro-1-(trifluoromethoxy)prop-1-ene is FC(F)(F)/C=C(/Cl)OC(F)(F)F.
What is the InChIKey of (E)-1-chloro-3,3,3-trifluoro-1-(trifluoromethoxy)prop-1-ene?
The InChIKey is BVBHUMZUVFGDSV-UPHRSURJSA-N. The full InChI is InChI=1S/C4HClF6O/c5-2(1-3(6,7)8)12-4(9,10)11/h1H/b2-1-.
What are the key properties of (E)-1-chloro-3,3,3-trifluoro-1-(trifluoromethoxy)prop-1-ene?
(E)-1-chloro-3,3,3-trifluoro-1-(trifluoromethoxy)prop-1-ene has a molecular weight of 214.49 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-3,3,3-trifluoro-1-(trifluoromethoxy)prop-1-ene is sourced from PubChem (CID 23236252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).