(2R,3R)-2,3-difluoro-5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dioxine

C6H2F8O2 — CID 134996624

IUPAC(2R,3R)-2,3-difluoro-5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dioxine
SMILESF[C@H]1OC(C(F)(F)F)=C(C(F)(F)F)O[C@@H]1F
InChIInChI=1S/C6H2F8O2/c7-3-4(8)16-2(6(12,13)14)1(15-3)5(9,10)11/h3-4H/t3-,4-/m0/s1
InChIKeyQNCYVYBECPUNNA-IMJSIDKUSA-N
MW258.06 g/mol
LogP2.96
Rot. Bonds

About (2R,3R)-2,3-difluoro-5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dioxine

(2R,3R)-2,3-difluoro-5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dioxine (PubChem CID 134996624) has the molecular formula C6H2F8O2 and a molecular weight of 258.06 g/mol. Its IUPAC name is (2R,3R)-2,3-difluoro-5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dioxine.

Molecular Properties

Compound Name(2R,3R)-2,3-difluoro-5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dioxine
PubChem CID134996624
Molecular FormulaC6H2F8O2
Molecular Weight258.06 g/mol
Exact Mass257.99
IUPAC Name(2R,3R)-2,3-difluoro-5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dioxine
SMILESF[C@H]1OC(C(F)(F)F)=C(C(F)(F)F)O[C@@H]1F
InChIInChI=1S/C6H2F8O2/c7-3-4(8)16-2(6(12,13)14)1(15-3)5(9,10)11/h3-4H/t3-,4-/m0/s1
InChIKeyQNCYVYBECPUNNA-IMJSIDKUSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-difluoro-5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dioxine?
The IUPAC name of (2R,3R)-2,3-difluoro-5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dioxine (CID 134996624) is (2R,3R)-2,3-difluoro-5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dioxine.
What is the SMILES notation for (2R,3R)-2,3-difluoro-5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dioxine?
The canonical SMILES for (2R,3R)-2,3-difluoro-5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dioxine is F[C@H]1OC(C(F)(F)F)=C(C(F)(F)F)O[C@@H]1F.
What is the InChIKey of (2R,3R)-2,3-difluoro-5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dioxine?
The InChIKey is QNCYVYBECPUNNA-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H2F8O2/c7-3-4(8)16-2(6(12,13)14)1(15-3)5(9,10)11/h3-4H/t3-,4-/m0/s1.
What are the key properties of (2R,3R)-2,3-difluoro-5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dioxine?
(2R,3R)-2,3-difluoro-5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dioxine has a molecular weight of 258.06 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-difluoro-5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dioxine is sourced from PubChem (CID 134996624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).