4-(1,3-difluoropropan-2-yl)-4-(fluoromethyl)-1,3-dioxetan-2-one

C6H7F3O3 — CID 175396832

IUPAC4-(1,3-difluoropropan-2-yl)-4-(fluoromethyl)-1,3-dioxetan-2-one
SMILESO=C1OC(CF)(C(CF)CF)O1
InChIInChI=1S/C6H7F3O3/c7-1-4(2-8)6(3-9)11-5(10)12-6/h4H,1-3H2
InChIKeyZZFAIWRWMMEYRU-UHFFFAOYSA-N
MW184.11 g/mol
LogP1.37
Rot. Bonds4

About 4-(1,3-difluoropropan-2-yl)-4-(fluoromethyl)-1,3-dioxetan-2-one

4-(1,3-difluoropropan-2-yl)-4-(fluoromethyl)-1,3-dioxetan-2-one (PubChem CID 175396832) has the molecular formula C6H7F3O3 and a molecular weight of 184.11 g/mol. Its IUPAC name is 4-(1,3-difluoropropan-2-yl)-4-(fluoromethyl)-1,3-dioxetan-2-one.

Molecular Properties

Compound Name4-(1,3-difluoropropan-2-yl)-4-(fluoromethyl)-1,3-dioxetan-2-one
PubChem CID175396832
Molecular FormulaC6H7F3O3
Molecular Weight184.11 g/mol
Exact Mass184.03
IUPAC Name4-(1,3-difluoropropan-2-yl)-4-(fluoromethyl)-1,3-dioxetan-2-one
SMILESO=C1OC(CF)(C(CF)CF)O1
InChIInChI=1S/C6H7F3O3/c7-1-4(2-8)6(3-9)11-5(10)12-6/h4H,1-3H2
InChIKeyZZFAIWRWMMEYRU-UHFFFAOYSA-N
XLogP1.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-difluoropropan-2-yl)-4-(fluoromethyl)-1,3-dioxetan-2-one?
The IUPAC name of 4-(1,3-difluoropropan-2-yl)-4-(fluoromethyl)-1,3-dioxetan-2-one (CID 175396832) is 4-(1,3-difluoropropan-2-yl)-4-(fluoromethyl)-1,3-dioxetan-2-one.
What is the SMILES notation for 4-(1,3-difluoropropan-2-yl)-4-(fluoromethyl)-1,3-dioxetan-2-one?
The canonical SMILES for 4-(1,3-difluoropropan-2-yl)-4-(fluoromethyl)-1,3-dioxetan-2-one is O=C1OC(CF)(C(CF)CF)O1.
What is the InChIKey of 4-(1,3-difluoropropan-2-yl)-4-(fluoromethyl)-1,3-dioxetan-2-one?
The InChIKey is ZZFAIWRWMMEYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O3/c7-1-4(2-8)6(3-9)11-5(10)12-6/h4H,1-3H2.
What are the key properties of 4-(1,3-difluoropropan-2-yl)-4-(fluoromethyl)-1,3-dioxetan-2-one?
4-(1,3-difluoropropan-2-yl)-4-(fluoromethyl)-1,3-dioxetan-2-one has a molecular weight of 184.11 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-difluoropropan-2-yl)-4-(fluoromethyl)-1,3-dioxetan-2-one is sourced from PubChem (CID 175396832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).