4-(3,3,3-trifluoropropoxymethyl)-1,3-dioxol-2-one

C7H7F3O4 — CID 153312367

IUPAC4-(3,3,3-trifluoropropoxymethyl)-1,3-dioxol-2-one
SMILESO=c1occ(COCCC(F)(F)F)o1
InChIInChI=1S/C7H7F3O4/c8-7(9,10)1-2-12-3-5-4-13-6(11)14-5/h4H,1-3H2
InChIKeyNIPATRMSZHMJBN-UHFFFAOYSA-N
MW212.12 g/mol
LogP1.70
Rot. Bonds4

About 4-(3,3,3-trifluoropropoxymethyl)-1,3-dioxol-2-one

4-(3,3,3-trifluoropropoxymethyl)-1,3-dioxol-2-one (PubChem CID 153312367) has the molecular formula C7H7F3O4 and a molecular weight of 212.12 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropoxymethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropoxymethyl)-1,3-dioxol-2-one
PubChem CID153312367
Molecular FormulaC7H7F3O4
Molecular Weight212.12 g/mol
Exact Mass212.03
IUPAC Name4-(3,3,3-trifluoropropoxymethyl)-1,3-dioxol-2-one
SMILESO=c1occ(COCCC(F)(F)F)o1
InChIInChI=1S/C7H7F3O4/c8-7(9,10)1-2-12-3-5-4-13-6(11)14-5/h4H,1-3H2
InChIKeyNIPATRMSZHMJBN-UHFFFAOYSA-N
XLogP1.70
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-5-[(trifluoromethoxy)methyl]-1,3-dioxol-2-one
CID 142753464
2,2-Bis(trifluoromethyl)-4-methylene-1,3-dioxolane
CID 9991084
4-Methylidene-5-(trifluoromethoxy)-1,3-dioxolan-2-one
CID 89426146
4-(2-Fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 138667804
4-Prop-2-enoxy-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 138667806
4-(Trifluoromethyl)-4-(2,3,3-trifluoroprop-2-enoxy)-1,3-dioxolan-2-one
CID 138667809
4-(3,3-Difluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
CID 138667810
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
2,2-Difluoro-4-methylidene-1,3-dioxolane
CID 143810438
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

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropoxymethyl)-1,3-dioxol-2-one?
The IUPAC name of 4-(3,3,3-trifluoropropoxymethyl)-1,3-dioxol-2-one (CID 153312367) is 4-(3,3,3-trifluoropropoxymethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-(3,3,3-trifluoropropoxymethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-(3,3,3-trifluoropropoxymethyl)-1,3-dioxol-2-one is O=c1occ(COCCC(F)(F)F)o1.
What is the InChIKey of 4-(3,3,3-trifluoropropoxymethyl)-1,3-dioxol-2-one?
The InChIKey is NIPATRMSZHMJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O4/c8-7(9,10)1-2-12-3-5-4-13-6(11)14-5/h4H,1-3H2.
What are the key properties of 4-(3,3,3-trifluoropropoxymethyl)-1,3-dioxol-2-one?
4-(3,3,3-trifluoropropoxymethyl)-1,3-dioxol-2-one has a molecular weight of 212.12 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropoxymethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 153312367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).