2,2,4-trifluoro-4-propyl-1,3-dioxolane

C6H9F3O2 — CID 18737949

IUPAC2,2,4-trifluoro-4-propyl-1,3-dioxolane
SMILESCCCC1(F)COC(F)(F)O1
InChIInChI=1S/C6H9F3O2/c1-2-3-5(7)4-10-6(8,9)11-5/h2-4H2,1H3
InChIKeyBUVYYDKATXTXLM-UHFFFAOYSA-N
MW170.13 g/mol
LogP2.05
Rot. Bonds2

About 2,2,4-trifluoro-4-propyl-1,3-dioxolane

2,2,4-trifluoro-4-propyl-1,3-dioxolane (PubChem CID 18737949) has the molecular formula C6H9F3O2 and a molecular weight of 170.13 g/mol. Its IUPAC name is 2,2,4-trifluoro-4-propyl-1,3-dioxolane.

Molecular Properties

Compound Name2,2,4-trifluoro-4-propyl-1,3-dioxolane
PubChem CID18737949
Molecular FormulaC6H9F3O2
Molecular Weight170.13 g/mol
Exact Mass170.06
IUPAC Name2,2,4-trifluoro-4-propyl-1,3-dioxolane
SMILESCCCC1(F)COC(F)(F)O1
InChIInChI=1S/C6H9F3O2/c1-2-3-5(7)4-10-6(8,9)11-5/h2-4H2,1H3
InChIKeyBUVYYDKATXTXLM-UHFFFAOYSA-N
XLogP2.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Difluoro-4,5-dimethyl-1,3-dioxolane
CID 18923912
2,2-Difluoro-4-propyl-1,3-dioxolane
CID 18923918
4-(Difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 23236997
(S)-4-(Difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 90478036
2,2-Dimethoxy-4-(trifluoromethyl)-1,3-dioxolane
CID 168719911
(4R)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 10953703
2,2-Difluoro-4-(methoxymethyl)-1,3-dioxolane
CID 119096835
3,3-Diethoxyperfluoro-2-methyloxolane
CID 129762031
3,3-Di-isopropoxyperfluoro-2-methyloxolane
CID 129762070
2,2-Dimethyl-4-(pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane
CID 91740244
2-[(2,2,3,3,4,4,5,5-Octafluoropentyl)oxy]-1,3-dioxolane
CID 2780753
4-(1-Fluoropropyl)-1,3-dioxolan-2-one
CID 18413645

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trifluoro-4-propyl-1,3-dioxolane?
The IUPAC name of 2,2,4-trifluoro-4-propyl-1,3-dioxolane (CID 18737949) is 2,2,4-trifluoro-4-propyl-1,3-dioxolane.
What is the SMILES notation for 2,2,4-trifluoro-4-propyl-1,3-dioxolane?
The canonical SMILES for 2,2,4-trifluoro-4-propyl-1,3-dioxolane is CCCC1(F)COC(F)(F)O1.
What is the InChIKey of 2,2,4-trifluoro-4-propyl-1,3-dioxolane?
The InChIKey is BUVYYDKATXTXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2/c1-2-3-5(7)4-10-6(8,9)11-5/h2-4H2,1H3.
What are the key properties of 2,2,4-trifluoro-4-propyl-1,3-dioxolane?
2,2,4-trifluoro-4-propyl-1,3-dioxolane has a molecular weight of 170.13 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trifluoro-4-propyl-1,3-dioxolane is sourced from PubChem (CID 18737949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).