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

C6H9F3O2 — CID 55256102

IUPAC2-(3,3,3-trifluoropropyl)-1,3-dioxolane
SMILESFC(F)(F)CCC1OCCO1
InChIInChI=1S/C6H9F3O2/c7-6(8,9)2-1-5-10-3-4-11-5/h5H,1-4H2
InChIKeyDPRUTITWLKDMID-UHFFFAOYSA-N
MW170.13 g/mol
LogP1.70
Rot. Bonds2

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

2-(3,3,3-trifluoropropyl)-1,3-dioxolane (PubChem CID 55256102) has the molecular formula C6H9F3O2 and a molecular weight of 170.13 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)-1,3-dioxolane
PubChem CID55256102
Molecular FormulaC6H9F3O2
Molecular Weight170.13 g/mol
Exact Mass170.06
IUPAC Name2-(3,3,3-trifluoropropyl)-1,3-dioxolane
SMILESFC(F)(F)CCC1OCCO1
InChIInChI=1S/C6H9F3O2/c7-6(8,9)2-1-5-10-3-4-11-5/h5H,1-4H2
InChIKeyDPRUTITWLKDMID-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-(2,2,2-Trifluoroethyl)-1,3-dioxolane
CID 14066883
4,4,5-Trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
CID 12846009
2-Fluoro-2-(1-fluoropropyl)-1,3-dioxolane
CID 18923919
2-(2,2,3,3,3-Pentafluoropropoxy)oxolane
CID 18927608
2-(2,2,2-Trifluoroethoxy)oxolane
CID 18927808
4-Methyl-2-(trifluoromethyl)-1,3-dioxolane
CID 53647621
2-(1,1,2,2,2-Pentafluoroethyl)-1,3-dioxolane
CID 55255037
4,5-Dimethyl-2-(2,2,2-trifluoroethyl)-1,3-dioxolane
CID 57793458
4-Ethyl-2-(2,2,2-trifluoroethyl)-1,3-dioxolane
CID 57793461

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropyl)-1,3-dioxolane?
The IUPAC name of 2-(3,3,3-trifluoropropyl)-1,3-dioxolane (CID 55256102) is 2-(3,3,3-trifluoropropyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)-1,3-dioxolane?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)-1,3-dioxolane is FC(F)(F)CCC1OCCO1.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)-1,3-dioxolane?
The InChIKey is DPRUTITWLKDMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2/c7-6(8,9)2-1-5-10-3-4-11-5/h5H,1-4H2.
What are the key properties of 2-(3,3,3-trifluoropropyl)-1,3-dioxolane?
2-(3,3,3-trifluoropropyl)-1,3-dioxolane has a molecular weight of 170.13 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)-1,3-dioxolane is sourced from PubChem (CID 55256102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).