(2R,4S)-2-tert-butyl-2-ethyl-4-(trifluoromethyl)-1,3-dioxolane

C10H17F3O2 — CID 122549203

IUPAC(2R,4S)-2-tert-butyl-2-ethyl-4-(trifluoromethyl)-1,3-dioxolane
SMILESCC[C@@]1(C(C)(C)C)OC[C@@H](C(F)(F)F)O1
InChIInChI=1S/C10H17F3O2/c1-5-9(8(2,3)4)14-6-7(15-9)10(11,12)13/h7H,5-6H2,1-4H3/t7-,9+/m0/s1
InChIKeyHCFDYFATVAEYHT-IONNQARKSA-N
MW226.24 g/mol
LogP3.12
Rot. Bonds1

About (2R,4S)-2-tert-butyl-2-ethyl-4-(trifluoromethyl)-1,3-dioxolane

(2R,4S)-2-tert-butyl-2-ethyl-4-(trifluoromethyl)-1,3-dioxolane (PubChem CID 122549203) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is (2R,4S)-2-tert-butyl-2-ethyl-4-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(2R,4S)-2-tert-butyl-2-ethyl-4-(trifluoromethyl)-1,3-dioxolane
PubChem CID122549203
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name(2R,4S)-2-tert-butyl-2-ethyl-4-(trifluoromethyl)-1,3-dioxolane
SMILESCC[C@@]1(C(C)(C)C)OC[C@@H](C(F)(F)F)O1
InChIInChI=1S/C10H17F3O2/c1-5-9(8(2,3)4)14-6-7(15-9)10(11,12)13/h7H,5-6H2,1-4H3/t7-,9+/m0/s1
InChIKeyHCFDYFATVAEYHT-IONNQARKSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane
CID 67950645
4,5-Ditert-butyl-4,5-difluoro-2,2-dimethyl-1,3-dioxolane
CID 68073063
2-Tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane
CID 71039348
2-(1,1-Difluoro-2,2-dimethylbutyl)-2-ethyl-1,3-dioxolane
CID 71056909
2-Tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane
CID 88037601
4,5-Ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 88558595
2-Tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane
CID 88871601
2-Tert-butyl-2-(1,1-difluoroethyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane
CID 89652578
4,5-Difluoro-2,2-dimethyl-4-(2-methylbutan-2-yl)-1,3-dioxolane
CID 117767666
4,5-Ditert-butyl-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 117800840
4,5-Ditert-butyl-2-fluoro-2-methyl-1,3-dioxolane
CID 118300585
4,5-Ditert-butyl-2,2-difluoro-1,3-dioxolane
CID 118300586

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-tert-butyl-2-ethyl-4-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of (2R,4S)-2-tert-butyl-2-ethyl-4-(trifluoromethyl)-1,3-dioxolane (CID 122549203) is (2R,4S)-2-tert-butyl-2-ethyl-4-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for (2R,4S)-2-tert-butyl-2-ethyl-4-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for (2R,4S)-2-tert-butyl-2-ethyl-4-(trifluoromethyl)-1,3-dioxolane is CC[C@@]1(C(C)(C)C)OC[C@@H](C(F)(F)F)O1.
What is the InChIKey of (2R,4S)-2-tert-butyl-2-ethyl-4-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is HCFDYFATVAEYHT-IONNQARKSA-N. The full InChI is InChI=1S/C10H17F3O2/c1-5-9(8(2,3)4)14-6-7(15-9)10(11,12)13/h7H,5-6H2,1-4H3/t7-,9+/m0/s1.
What are the key properties of (2R,4S)-2-tert-butyl-2-ethyl-4-(trifluoromethyl)-1,3-dioxolane?
(2R,4S)-2-tert-butyl-2-ethyl-4-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 226.24 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-tert-butyl-2-ethyl-4-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 122549203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).