(4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane

C5H2F8O2 — CID 73054757

IUPAC(4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESF[C@@H]1OC(C(F)(F)F)(C(F)(F)F)O[C@@H]1F
InChIInChI=1S/C5H2F8O2/c6-1-2(7)15-3(14-1,4(8,9)10)5(11,12)13/h1-2H/t1-,2+
InChIKeyGTNXBHOMDNYBNC-XIXRPRMCSA-N
MW246.05 g/mol
LogP2.45
Rot. Bonds

About (4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane

(4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 73054757) has the molecular formula C5H2F8O2 and a molecular weight of 246.05 g/mol. Its IUPAC name is (4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID73054757
Molecular FormulaC5H2F8O2
Molecular Weight246.05 g/mol
Exact Mass245.99
IUPAC Name(4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESF[C@@H]1OC(C(F)(F)F)(C(F)(F)F)O[C@@H]1F
InChIInChI=1S/C5H2F8O2/c6-1-2(7)15-3(14-1,4(8,9)10)5(11,12)13/h1-2H/t1-,2+
InChIKeyGTNXBHOMDNYBNC-XIXRPRMCSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of (4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 73054757) is (4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for (4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for (4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane is F[C@@H]1OC(C(F)(F)F)(C(F)(F)F)O[C@@H]1F.
What is the InChIKey of (4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is GTNXBHOMDNYBNC-XIXRPRMCSA-N. The full InChI is InChI=1S/C5H2F8O2/c6-1-2(7)15-3(14-1,4(8,9)10)5(11,12)13/h1-2H/t1-,2+.
What are the key properties of (4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
(4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 246.05 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 73054757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).