4,4,5-trifluoro-1,3-dioxolan-2-one

C3HF3O3 — CID 23116521

IUPAC4,4,5-trifluoro-1,3-dioxolan-2-one
SMILESO=C1OC(F)C(F)(F)O1
InChIInChI=1S/C3HF3O3/c4-1-3(5,6)9-2(7)8-1/h1H
InChIKeyCRJXZTRTJWAKMU-UHFFFAOYSA-N
MW142.03 g/mol
LogP1.04
Rot. Bonds

About 4,4,5-trifluoro-1,3-dioxolan-2-one

4,4,5-trifluoro-1,3-dioxolan-2-one (PubChem CID 23116521) has the molecular formula C3HF3O3 and a molecular weight of 142.03 g/mol. Its IUPAC name is 4,4,5-trifluoro-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4,4,5-trifluoro-1,3-dioxolan-2-one
PubChem CID23116521
Molecular FormulaC3HF3O3
Molecular Weight142.03 g/mol
Exact Mass141.99
IUPAC Name4,4,5-trifluoro-1,3-dioxolan-2-one
SMILESO=C1OC(F)C(F)(F)O1
InChIInChI=1S/C3HF3O3/c4-1-3(5,6)9-2(7)8-1/h1H
InChIKeyCRJXZTRTJWAKMU-UHFFFAOYSA-N
XLogP1.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.03
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dioxolan-2-one, 4-fluoro-
CID 2769656
3,3,3-Trifluoropropylene carbonate
CID 3547310
4,5-Difluoro-1,3-dioxolan-2-one
CID 22930964
rel-(4R,5S)-4,5-Difluoro-1,3-dioxolan-2-one
CID 10290792
rel-(4R,5R)-4,5-Difluoro-1,3-dioxolan-2-one
CID 66606971
2,2,4,5-Tetrafluoro-1,3-dioxolane
CID 151605
1,3-Dioxolan-2-one, 4,4-difluoro-
CID 9793752
(4S,5S)-4,5-difluoro-1,3-dioxolan-2-one
CID 10129948
4,5-Difluoro-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 17876706
4-Fluoro-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 17876707
2,2-Difluoro-1,3-dioxolane
CID 21955827
4,4-Difluoro-1,3-dioxolane
CID 23529928

Frequently Asked Questions

What is the IUPAC name of 4,4,5-trifluoro-1,3-dioxolan-2-one?
The IUPAC name of 4,4,5-trifluoro-1,3-dioxolan-2-one (CID 23116521) is 4,4,5-trifluoro-1,3-dioxolan-2-one.
What is the SMILES notation for 4,4,5-trifluoro-1,3-dioxolan-2-one?
The canonical SMILES for 4,4,5-trifluoro-1,3-dioxolan-2-one is O=C1OC(F)C(F)(F)O1.
What is the InChIKey of 4,4,5-trifluoro-1,3-dioxolan-2-one?
The InChIKey is CRJXZTRTJWAKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF3O3/c4-1-3(5,6)9-2(7)8-1/h1H.
What are the key properties of 4,4,5-trifluoro-1,3-dioxolan-2-one?
4,4,5-trifluoro-1,3-dioxolan-2-one has a molecular weight of 142.03 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trifluoro-1,3-dioxolan-2-one is sourced from PubChem (CID 23116521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).