4-[(2,3,3,3-tetrafluoro-2-methoxypropoxy)methyl]-1,3-dioxol-2-one

C8H8F4O5 — CID 153312390

IUPAC4-[(2,3,3,3-tetrafluoro-2-methoxypropoxy)methyl]-1,3-dioxol-2-one
SMILESCOC(F)(COCc1coc(=O)o1)C(F)(F)F
InChIInChI=1S/C8H8F4O5/c1-14-7(9,8(10,11)12)4-15-2-5-3-16-6(13)17-5/h3H,2,4H2,1H3
InChIKeyYQVCOHLCZQVWAC-UHFFFAOYSA-N
MW260.14 g/mol
LogP1.62
Rot. Bonds5

About 4-[(2,3,3,3-tetrafluoro-2-methoxypropoxy)methyl]-1,3-dioxol-2-one

4-[(2,3,3,3-tetrafluoro-2-methoxypropoxy)methyl]-1,3-dioxol-2-one (PubChem CID 153312390) has the molecular formula C8H8F4O5 and a molecular weight of 260.14 g/mol. Its IUPAC name is 4-[(2,3,3,3-tetrafluoro-2-methoxypropoxy)methyl]-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-[(2,3,3,3-tetrafluoro-2-methoxypropoxy)methyl]-1,3-dioxol-2-one
PubChem CID153312390
Molecular FormulaC8H8F4O5
Molecular Weight260.14 g/mol
Exact Mass260.03
IUPAC Name4-[(2,3,3,3-tetrafluoro-2-methoxypropoxy)methyl]-1,3-dioxol-2-one
SMILESCOC(F)(COCc1coc(=O)o1)C(F)(F)F
InChIInChI=1S/C8H8F4O5/c1-14-7(9,8(10,11)12)4-15-2-5-3-16-6(13)17-5/h3H,2,4H2,1H3
InChIKeyYQVCOHLCZQVWAC-UHFFFAOYSA-N
XLogP1.62
TPSA61.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 138667804
4-(2-Fluoroprop-2-enoxy)-4-(1,1,2,2,2-pentafluoroethyl)-1,3-dioxolan-2-one
CID 138667863
4-(2,2,2-Trifluoroethoxymethyl)-1,3-dioxol-2-one
CID 139390777
4-(2,2,3,3-Tetrafluoropropoxymethyl)-1,3-dioxol-2-one
CID 149735901
4-[[1,1,2,3,3,3-Hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propoxy]methyl]-1,3-dioxol-2-one
CID 153312351
4-(3,3-Difluorobutoxymethyl)-1,3-dioxol-2-one
CID 153312352
4-(1,1,2,2-Tetrafluoropropoxymethyl)-1,3-dioxol-2-one
CID 153312354
4-[[2,2-Difluoro-3-(1,1,2,2-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one
CID 153312356
4-[[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-1,3-dioxol-2-one
CID 153312357
4-(2,2,3,3,4,4,5,5-Octafluoropentoxymethyl)-1,3-dioxol-2-one
CID 153312364
4-[[2,3,3,3-Tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one
CID 153312365
4-(3,3,3-Trifluoropropoxymethyl)-1,3-dioxol-2-one
CID 153312367

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,3,3-tetrafluoro-2-methoxypropoxy)methyl]-1,3-dioxol-2-one?
The IUPAC name of 4-[(2,3,3,3-tetrafluoro-2-methoxypropoxy)methyl]-1,3-dioxol-2-one (CID 153312390) is 4-[(2,3,3,3-tetrafluoro-2-methoxypropoxy)methyl]-1,3-dioxol-2-one.
What is the SMILES notation for 4-[(2,3,3,3-tetrafluoro-2-methoxypropoxy)methyl]-1,3-dioxol-2-one?
The canonical SMILES for 4-[(2,3,3,3-tetrafluoro-2-methoxypropoxy)methyl]-1,3-dioxol-2-one is COC(F)(COCc1coc(=O)o1)C(F)(F)F.
What is the InChIKey of 4-[(2,3,3,3-tetrafluoro-2-methoxypropoxy)methyl]-1,3-dioxol-2-one?
The InChIKey is YQVCOHLCZQVWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4O5/c1-14-7(9,8(10,11)12)4-15-2-5-3-16-6(13)17-5/h3H,2,4H2,1H3.
What are the key properties of 4-[(2,3,3,3-tetrafluoro-2-methoxypropoxy)methyl]-1,3-dioxol-2-one?
4-[(2,3,3,3-tetrafluoro-2-methoxypropoxy)methyl]-1,3-dioxol-2-one has a molecular weight of 260.14 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3,3,3-tetrafluoro-2-methoxypropoxy)methyl]-1,3-dioxol-2-one is sourced from PubChem (CID 153312390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).