(3R)-6-chloro-2,2,3-trifluoro-3H-1,4-benzodioxine

C8H4ClF3O2 — CID 97109365

IUPAC(3R)-6-chloro-2,2,3-trifluoro-3H-1,4-benzodioxine
SMILESF[C@H]1Oc2cc(Cl)ccc2OC1(F)F
InChIInChI=1S/C8H4ClF3O2/c9-4-1-2-5-6(3-4)13-7(10)8(11,12)14-5/h1-3,7H/t7-/m0/s1
InChIKeyWHQOTEIXXRDIOO-ZETCQYMHSA-N
MW224.57 g/mol
LogP3.00
Rot. Bonds

About (3R)-6-chloro-2,2,3-trifluoro-3H-1,4-benzodioxine

(3R)-6-chloro-2,2,3-trifluoro-3H-1,4-benzodioxine (PubChem CID 97109365) has the molecular formula C8H4ClF3O2 and a molecular weight of 224.57 g/mol. Its IUPAC name is (3R)-6-chloro-2,2,3-trifluoro-3H-1,4-benzodioxine.

Molecular Properties

Compound Name(3R)-6-chloro-2,2,3-trifluoro-3H-1,4-benzodioxine
PubChem CID97109365
Molecular FormulaC8H4ClF3O2
Molecular Weight224.57 g/mol
Exact Mass223.99
IUPAC Name(3R)-6-chloro-2,2,3-trifluoro-3H-1,4-benzodioxine
SMILESF[C@H]1Oc2cc(Cl)ccc2OC1(F)F
InChIInChI=1S/C8H4ClF3O2/c9-4-1-2-5-6(3-4)13-7(10)8(11,12)14-5/h1-3,7H/t7-/m0/s1
InChIKeyWHQOTEIXXRDIOO-ZETCQYMHSA-N
XLogP3.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.57
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-chloro-2,2,3-trifluoro-3H-1,4-benzodioxine?
The IUPAC name of (3R)-6-chloro-2,2,3-trifluoro-3H-1,4-benzodioxine (CID 97109365) is (3R)-6-chloro-2,2,3-trifluoro-3H-1,4-benzodioxine.
What is the SMILES notation for (3R)-6-chloro-2,2,3-trifluoro-3H-1,4-benzodioxine?
The canonical SMILES for (3R)-6-chloro-2,2,3-trifluoro-3H-1,4-benzodioxine is F[C@H]1Oc2cc(Cl)ccc2OC1(F)F.
What is the InChIKey of (3R)-6-chloro-2,2,3-trifluoro-3H-1,4-benzodioxine?
The InChIKey is WHQOTEIXXRDIOO-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H4ClF3O2/c9-4-1-2-5-6(3-4)13-7(10)8(11,12)14-5/h1-3,7H/t7-/m0/s1.
What are the key properties of (3R)-6-chloro-2,2,3-trifluoro-3H-1,4-benzodioxine?
(3R)-6-chloro-2,2,3-trifluoro-3H-1,4-benzodioxine has a molecular weight of 224.57 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-chloro-2,2,3-trifluoro-3H-1,4-benzodioxine is sourced from PubChem (CID 97109365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).