(5S)-5-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one

C7H3F9O3 — CID 11472255

IUPAC(5S)-5-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
SMILESO=C1OC(C(F)(F)F)(C(F)(F)F)O[C@H]1CC(F)(F)F
InChIInChI=1S/C7H3F9O3/c8-4(9,10)1-2-3(17)19-5(18-2,6(11,12)13)7(14,15)16/h2H,1H2/t2-/m0/s1
InChIKeyGUNSCBGUFPJRQB-REOHCLBHSA-N
MW306.08 g/mol
LogP2.70
Rot. Bonds1

About (5S)-5-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one

(5S)-5-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one (PubChem CID 11472255) has the molecular formula C7H3F9O3 and a molecular weight of 306.08 g/mol. Its IUPAC name is (5S)-5-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5S)-5-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
PubChem CID11472255
Molecular FormulaC7H3F9O3
Molecular Weight306.08 g/mol
Exact Mass305.99
IUPAC Name(5S)-5-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
SMILESO=C1OC(C(F)(F)F)(C(F)(F)F)O[C@H]1CC(F)(F)F
InChIInChI=1S/C7H3F9O3/c8-4(9,10)1-2-3(17)19-5(18-2,6(11,12)13)7(14,15)16/h2H,1H2/t2-/m0/s1
InChIKeyGUNSCBGUFPJRQB-REOHCLBHSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.08
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one?
The IUPAC name of (5S)-5-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one (CID 11472255) is (5S)-5-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one.
What is the SMILES notation for (5S)-5-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one?
The canonical SMILES for (5S)-5-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one is O=C1OC(C(F)(F)F)(C(F)(F)F)O[C@H]1CC(F)(F)F.
What is the InChIKey of (5S)-5-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one?
The InChIKey is GUNSCBGUFPJRQB-REOHCLBHSA-N. The full InChI is InChI=1S/C7H3F9O3/c8-4(9,10)1-2-3(17)19-5(18-2,6(11,12)13)7(14,15)16/h2H,1H2/t2-/m0/s1.
What are the key properties of (5S)-5-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one?
(5S)-5-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one has a molecular weight of 306.08 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2,2,2-trifluoroethyl)-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one is sourced from PubChem (CID 11472255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).