(4R,5R)-4-butyl-5-ethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane

C11H16F6O2 — CID 22213957

IUPAC(4R,5R)-4-butyl-5-ethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCCCC[C@H]1OC(C(F)(F)F)(C(F)(F)F)O[C@@H]1CC
InChIInChI=1S/C11H16F6O2/c1-3-5-6-8-7(4-2)18-9(19-8,10(12,13)14)11(15,16)17/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyGYAVUBUHGQUNDC-HTQZYQBOSA-N
MW294.24 g/mol
LogP4.19
Rot. Bonds4

About (4R,5R)-4-butyl-5-ethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane

(4R,5R)-4-butyl-5-ethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 22213957) has the molecular formula C11H16F6O2 and a molecular weight of 294.24 g/mol. Its IUPAC name is (4R,5R)-4-butyl-5-ethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4-butyl-5-ethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID22213957
Molecular FormulaC11H16F6O2
Molecular Weight294.24 g/mol
Exact Mass294.11
IUPAC Name(4R,5R)-4-butyl-5-ethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCCCC[C@H]1OC(C(F)(F)F)(C(F)(F)F)O[C@@H]1CC
InChIInChI=1S/C11H16F6O2/c1-3-5-6-8-7(4-2)18-9(19-8,10(12,13)14)11(15,16)17/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyGYAVUBUHGQUNDC-HTQZYQBOSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-4,5-dioctyl-1,3-dioxolane
CID 18920475
4,5-diethyl-2,2-difluoro-1,3-dioxolane
CID 163770260
4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane
CID 91277761
(2R,3S)-2-butyl-3-propyloxirane
CID 13394975
2-ethyl-3-henicosyloxirane
CID 20501424
(4R,5R)-4-butyl-5-[(Z)-hept-3-enyl]-2,2-dimethyl-1,3-dioxolane
CID 10538904
(4R,5R)-4-but-3-enyl-5-butyl-2,2-dimethyl-1,3-dioxolane
CID 10536522
3-butyl-2-fluorooxiran-2-amine
CID 163216689
2-butyl-3-undecyloxirane
CID 88518775
3-butyl-2-(2-phenylethynyl)-2-(trifluoromethyl)oxirane
CID 139927480
2,2,4,5-tetraethyl-1,3-dioxolane
CID 89360618
(3R)-3-[[(2R,3R)-3-[[(2R,3R)-3-butyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-2,2-dimethyloxirane
CID 135010286

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-butyl-5-ethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of (4R,5R)-4-butyl-5-ethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 22213957) is (4R,5R)-4-butyl-5-ethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4-butyl-5-ethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4-butyl-5-ethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is CCCC[C@H]1OC(C(F)(F)F)(C(F)(F)F)O[C@@H]1CC.
What is the InChIKey of (4R,5R)-4-butyl-5-ethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is GYAVUBUHGQUNDC-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H16F6O2/c1-3-5-6-8-7(4-2)18-9(19-8,10(12,13)14)11(15,16)17/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (4R,5R)-4-butyl-5-ethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
(4R,5R)-4-butyl-5-ethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 294.24 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-butyl-5-ethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 22213957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).