1,2,3,3,3-pentafluoro-1-(trifluoromethoxy)prop-1-ene

C4F8O — CID 53395391

IUPAC1,2,3,3,3-pentafluoro-1-(trifluoromethoxy)prop-1-ene
SMILESFC(OC(F)(F)F)=C(F)C(F)(F)F
InChIInChI=1S/C4F8O/c5-1(3(7,8)9)2(6)13-4(10,11)12
InChIKeySYLBHDWIEFOPOP-UHFFFAOYSA-N
MW216.03 g/mol
LogP3.19
Rot. Bonds1

About 1,2,3,3,3-pentafluoro-1-(trifluoromethoxy)prop-1-ene

1,2,3,3,3-pentafluoro-1-(trifluoromethoxy)prop-1-ene (PubChem CID 53395391) has the molecular formula C4F8O and a molecular weight of 216.03 g/mol. Its IUPAC name is 1,2,3,3,3-pentafluoro-1-(trifluoromethoxy)prop-1-ene.

Molecular Properties

Compound Name1,2,3,3,3-pentafluoro-1-(trifluoromethoxy)prop-1-ene
PubChem CID53395391
Molecular FormulaC4F8O
Molecular Weight216.03 g/mol
Exact Mass215.98
IUPAC Name1,2,3,3,3-pentafluoro-1-(trifluoromethoxy)prop-1-ene
SMILESFC(OC(F)(F)F)=C(F)C(F)(F)F
InChIInChI=1S/C4F8O/c5-1(3(7,8)9)2(6)13-4(10,11)12
InChIKeySYLBHDWIEFOPOP-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
LogP ≤ 53.19
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 1,2,3,3,3-pentafluoro-1-(trifluoromethoxy)prop-1-ene?
The IUPAC name of 1,2,3,3,3-pentafluoro-1-(trifluoromethoxy)prop-1-ene (CID 53395391) is 1,2,3,3,3-pentafluoro-1-(trifluoromethoxy)prop-1-ene.
What is the SMILES notation for 1,2,3,3,3-pentafluoro-1-(trifluoromethoxy)prop-1-ene?
The canonical SMILES for 1,2,3,3,3-pentafluoro-1-(trifluoromethoxy)prop-1-ene is FC(OC(F)(F)F)=C(F)C(F)(F)F.
What is the InChIKey of 1,2,3,3,3-pentafluoro-1-(trifluoromethoxy)prop-1-ene?
The InChIKey is SYLBHDWIEFOPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F8O/c5-1(3(7,8)9)2(6)13-4(10,11)12.
What are the key properties of 1,2,3,3,3-pentafluoro-1-(trifluoromethoxy)prop-1-ene?
1,2,3,3,3-pentafluoro-1-(trifluoromethoxy)prop-1-ene has a molecular weight of 216.03 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,3-pentafluoro-1-(trifluoromethoxy)prop-1-ene is sourced from PubChem (CID 53395391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).