2-methoxy-2-(trifluoromethyl)-1,3-dioxolane

C5H7F3O3 — CID 12665284

IUPAC2-methoxy-2-(trifluoromethyl)-1,3-dioxolane
SMILESCOC1(C(F)(F)F)OCCO1
InChIInChI=1S/C5H7F3O3/c1-9-5(4(6,7)8)10-2-3-11-5/h2-3H2,1H3
InChIKeyPKFNGINRDVLEGA-UHFFFAOYSA-N
MW172.10 g/mol
LogP0.90
Rot. Bonds1

About 2-methoxy-2-(trifluoromethyl)-1,3-dioxolane

2-methoxy-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 12665284) has the molecular formula C5H7F3O3 and a molecular weight of 172.10 g/mol. Its IUPAC name is 2-methoxy-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-methoxy-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID12665284
Molecular FormulaC5H7F3O3
Molecular Weight172.10 g/mol
Exact Mass172.03
IUPAC Name2-methoxy-2-(trifluoromethyl)-1,3-dioxolane
SMILESCOC1(C(F)(F)F)OCCO1
InChIInChI=1S/C5H7F3O3/c1-9-5(4(6,7)8)10-2-3-11-5/h2-3H2,1H3
InChIKeyPKFNGINRDVLEGA-UHFFFAOYSA-N
XLogP0.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Bis(trifluoromethyl)-1,3-dioxolane
CID 120560
2-(Trifluoromethyl)-1,3-dioxolane
CID 3642049
2-(Difluoromethylidene)-1,3-dioxolane
CID 20576357
4-(Difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 23236997
(S)-4-(Difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 90478036
(4R)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 10953703
2-(2,2,2-Trifluoroethyl)-1,3-dioxolane
CID 14066883
2-Fluoro-2-methyl-1,3-dioxolane
CID 57834534
2,2-Bis(difluoromethyl)-1,3-dioxolane
CID 21731045
2,2-Bis(difluoromethyl)-4,5-difluoro-1,3-dioxolane
CID 21731048
2,2-Difluoro-4-methyl-1,3-dioxolane
CID 11040697
4,4,5,5-Tetrafluoro-2-methyl-1,3-dioxolane
CID 12846007

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2-methoxy-2-(trifluoromethyl)-1,3-dioxolane (CID 12665284) is 2-methoxy-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-methoxy-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2-methoxy-2-(trifluoromethyl)-1,3-dioxolane is COC1(C(F)(F)F)OCCO1.
What is the InChIKey of 2-methoxy-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is PKFNGINRDVLEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O3/c1-9-5(4(6,7)8)10-2-3-11-5/h2-3H2,1H3.
What are the key properties of 2-methoxy-2-(trifluoromethyl)-1,3-dioxolane?
2-methoxy-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 172.10 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 12665284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).