4-(2-fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one

C7H6F4O4 — CID 138667804

IUPAC4-(2-fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESC=C(F)COC1(C(F)(F)F)COC(=O)O1
InChIInChI=1S/C7H6F4O4/c1-4(8)2-14-6(7(9,10)11)3-13-5(12)15-6/h1-3H2
InChIKeyHNYPNHAWRXZUDK-UHFFFAOYSA-N
MW230.11 g/mol
LogP1.91
Rot. Bonds3

About 4-(2-fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one

4-(2-fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one (PubChem CID 138667804) has the molecular formula C7H6F4O4 and a molecular weight of 230.11 g/mol. Its IUPAC name is 4-(2-fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(2-fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
PubChem CID138667804
Molecular FormulaC7H6F4O4
Molecular Weight230.11 g/mol
Exact Mass230.02
IUPAC Name4-(2-fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one
SMILESC=C(F)COC1(C(F)(F)F)COC(=O)O1
InChIInChI=1S/C7H6F4O4/c1-4(8)2-14-6(7(9,10)11)3-13-5(12)15-6/h1-3H2
InChIKeyHNYPNHAWRXZUDK-UHFFFAOYSA-N
XLogP1.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(2-fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one (CID 138667804) is 4-(2-fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(2-fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(2-fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one is C=C(F)COC1(C(F)(F)F)COC(=O)O1.
What is the InChIKey of 4-(2-fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one?
The InChIKey is HNYPNHAWRXZUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4O4/c1-4(8)2-14-6(7(9,10)11)3-13-5(12)15-6/h1-3H2.
What are the key properties of 4-(2-fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one?
4-(2-fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one has a molecular weight of 230.11 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroprop-2-enoxy)-4-(trifluoromethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 138667804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).