2,2,4-trifluoro-5-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3-dioxole

C6F8O2 — CID 87328983

IUPAC2,2,4-trifluoro-5-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3-dioxole
SMILESFC(F)=C(F)C(F)(F)C1=C(F)OC(F)(F)O1
InChIInChI=1S/C6F8O2/c7-1(3(8)9)5(11,12)2-4(10)16-6(13,14)15-2
InChIKeyBGQSUHCOSCXWRO-UHFFFAOYSA-N
MW256.05 g/mol
LogP3.43
Rot. Bonds2

About 2,2,4-trifluoro-5-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3-dioxole

2,2,4-trifluoro-5-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3-dioxole (PubChem CID 87328983) has the molecular formula C6F8O2 and a molecular weight of 256.05 g/mol. Its IUPAC name is 2,2,4-trifluoro-5-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3-dioxole.

Molecular Properties

Compound Name2,2,4-trifluoro-5-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3-dioxole
PubChem CID87328983
Molecular FormulaC6F8O2
Molecular Weight256.05 g/mol
Exact Mass255.98
IUPAC Name2,2,4-trifluoro-5-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3-dioxole
SMILESFC(F)=C(F)C(F)(F)C1=C(F)OC(F)(F)O1
InChIInChI=1S/C6F8O2/c7-1(3(8)9)5(11,12)2-4(10)16-6(13,14)15-2
InChIKeyBGQSUHCOSCXWRO-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.05
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluoro-5-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3-dioxole?
The IUPAC name of 2,2,4-trifluoro-5-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3-dioxole (CID 87328983) is 2,2,4-trifluoro-5-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3-dioxole.
What is the SMILES notation for 2,2,4-trifluoro-5-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3-dioxole?
The canonical SMILES for 2,2,4-trifluoro-5-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3-dioxole is FC(F)=C(F)C(F)(F)C1=C(F)OC(F)(F)O1.
What is the InChIKey of 2,2,4-trifluoro-5-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3-dioxole?
The InChIKey is BGQSUHCOSCXWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F8O2/c7-1(3(8)9)5(11,12)2-4(10)16-6(13,14)15-2.
What are the key properties of 2,2,4-trifluoro-5-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3-dioxole?
2,2,4-trifluoro-5-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3-dioxole has a molecular weight of 256.05 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluoro-5-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,3-dioxole is sourced from PubChem (CID 87328983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).