4-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one

C8H8F6O3 — CID 134268687

IUPAC4-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(CCC(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C8H8F6O3/c9-7(10,11)5(8(12,13)14)2-1-4-3-16-6(15)17-4/h4-5H,1-3H2
InChIKeyOJSUHBRBTLLASL-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.04
Rot. Bonds3

About 4-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one

4-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one (PubChem CID 134268687) has the molecular formula C8H8F6O3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 4-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one
PubChem CID134268687
Molecular FormulaC8H8F6O3
Molecular Weight266.14 g/mol
Exact Mass266.04
IUPAC Name4-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(CCC(C(F)(F)F)C(F)(F)F)O1
InChIInChI=1S/C8H8F6O3/c9-7(10,11)5(8(12,13)14)2-1-4-3-16-6(15)17-4/h4-5H,1-3H2
InChIKeyOJSUHBRBTLLASL-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2,3,3,3-Tetrafluoro-2-(trifluoromethyl)propyl]-1,3-dioxolane-2-one
CID 14008835
4-(2-Ethyl-3,3,4,4,5,5,5-heptafluoropentyl)-1,3-dioxolan-2-one
CID 21263529
4-[3,4,4,4-Tetrafluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one
CID 118189689
4-[4,4,4-Trifluoro-3,3-bis(trifluoromethyl)butyl]-1,3-dioxolan-2-one
CID 118191710
4-[1,1,2,3,3,3-Hexafluoro-2-(fluoromethyl)propyl]-1,3-dioxolan-2-one
CID 152631750
4-(2,3,3,3-Tetrafluoro-2-methylpropyl)-1,3-dioxolan-2-one
CID 165064595
4-[3,3,3-Trifluoro-2-(trifluoromethyl)propyl]-1,3-dioxolan-2-one
CID 167266680
4-[2-(Difluoromethyl)-1,2,3,3,3-pentafluoropropyl]-1,3-dioxolan-2-one
CID 175558559
4-(3-Methylbutyl)-1,3-dioxolan-2-one
CID 138595323

Frequently Asked Questions

What is the IUPAC name of 4-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one (CID 134268687) is 4-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one is O=C1OCC(CCC(C(F)(F)F)C(F)(F)F)O1.
What is the InChIKey of 4-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one?
The InChIKey is OJSUHBRBTLLASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6O3/c9-7(10,11)5(8(12,13)14)2-1-4-3-16-6(15)17-4/h4-5H,1-3H2.
What are the key properties of 4-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one?
4-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one has a molecular weight of 266.14 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 134268687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).