(2R,4R)-4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride

C6F8O4 — CID 98047390

IUPAC(2R,4R)-4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
SMILESO=C(F)[C@@]1(C(F)(F)F)OC(=O)[C@@](F)(C(F)(F)F)O1
InChIInChI=1S/C6F8O4/c7-1(15)4(6(12,13)14)17-2(16)3(8,18-4)5(9,10)11/t3-,4+/m0/s1
InChIKeyNVLMRLQANVCTOG-IUYQGCFVSA-N
MW288.05 g/mol
LogP1.54
Rot. Bonds1

About (2R,4R)-4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride

(2R,4R)-4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride (PubChem CID 98047390) has the molecular formula C6F8O4 and a molecular weight of 288.05 g/mol. Its IUPAC name is (2R,4R)-4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride.

Molecular Properties

Compound Name(2R,4R)-4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
PubChem CID98047390
Molecular FormulaC6F8O4
Molecular Weight288.05 g/mol
Exact Mass287.97
IUPAC Name(2R,4R)-4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
SMILESO=C(F)[C@@]1(C(F)(F)F)OC(=O)[C@@](F)(C(F)(F)F)O1
InChIInChI=1S/C6F8O4/c7-1(15)4(6(12,13)14)17-2(16)3(8,18-4)5(9,10)11/t3-,4+/m0/s1
InChIKeyNVLMRLQANVCTOG-IUYQGCFVSA-N
XLogP1.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.05
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
The IUPAC name of (2R,4R)-4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride (CID 98047390) is (2R,4R)-4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride.
What is the SMILES notation for (2R,4R)-4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
The canonical SMILES for (2R,4R)-4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride is O=C(F)[C@@]1(C(F)(F)F)OC(=O)[C@@](F)(C(F)(F)F)O1.
What is the InChIKey of (2R,4R)-4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
The InChIKey is NVLMRLQANVCTOG-IUYQGCFVSA-N. The full InChI is InChI=1S/C6F8O4/c7-1(15)4(6(12,13)14)17-2(16)3(8,18-4)5(9,10)11/t3-,4+/m0/s1.
What are the key properties of (2R,4R)-4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
(2R,4R)-4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride has a molecular weight of 288.05 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride is sourced from PubChem (CID 98047390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).