2-(2,2,2-trifluoroethyl)-1,3-dioxolane

C5H7F3O2 — CID 14066883

IUPAC2-(2,2,2-trifluoroethyl)-1,3-dioxolane
SMILESFC(F)(F)CC1OCCO1
InChIInChI=1S/C5H7F3O2/c6-5(7,8)3-4-9-1-2-10-4/h4H,1-3H2
InChIKeyBTFYFEVHCNLYQA-UHFFFAOYSA-N
MW156.10 g/mol
LogP1.31
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-1,3-dioxolane

2-(2,2,2-trifluoroethyl)-1,3-dioxolane (PubChem CID 14066883) has the molecular formula C5H7F3O2 and a molecular weight of 156.10 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-1,3-dioxolane
PubChem CID14066883
Molecular FormulaC5H7F3O2
Molecular Weight156.10 g/mol
Exact Mass156.04
IUPAC Name2-(2,2,2-trifluoroethyl)-1,3-dioxolane
SMILESFC(F)(F)CC1OCCO1
InChIInChI=1S/C5H7F3O2/c6-5(7,8)3-4-9-1-2-10-4/h4H,1-3H2
InChIKeyBTFYFEVHCNLYQA-UHFFFAOYSA-N
XLogP1.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Bis(trifluoromethyl)-1,3-dioxolane
CID 120560
2-(2,2,3,3,4,4,4-Heptafluorobutyl)-1,3-dioxolane
CID 11139725
2-(Heptafluoropropyl)-1,3-dioxolane
CID 86154818
2-(Trifluoromethyl)-1,3-dioxolane
CID 3642049
4-(2,2,2-Trifluoroethoxy)-1,3-dioxolan-2-one
CID 89936258
2-Fluoromethyl-1,3-dioxolane
CID 18927539
2,2,4-Trifluoro-5-trifluoromethoxy-1,3-dioxolane
CID 134823995
4,4,5-Trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane
CID 14297350
2-(3,3,3-Trifluoropropyl)-1,3-dioxolane
CID 55256102
2,2-Bis(difluoromethyl)-1,3-dioxolane
CID 21731045
2,2-Bis(difluoromethyl)-4,5-difluoro-1,3-dioxolane
CID 21731048
2-(Trifluoromethyl)-4,4,5,5-tetrafluoro-1,3-dioxolane
CID 11264349

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-1,3-dioxolane?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-1,3-dioxolane (CID 14066883) is 2-(2,2,2-trifluoroethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-1,3-dioxolane?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-1,3-dioxolane is FC(F)(F)CC1OCCO1.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-1,3-dioxolane?
The InChIKey is BTFYFEVHCNLYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O2/c6-5(7,8)3-4-9-1-2-10-4/h4H,1-3H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-1,3-dioxolane?
2-(2,2,2-trifluoroethyl)-1,3-dioxolane has a molecular weight of 156.10 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-1,3-dioxolane is sourced from PubChem (CID 14066883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).