2,2-difluoro-3-(2-prop-1-enoxyethyl)oxetane

C8H12F2O2 — CID 150963075

IUPAC2,2-difluoro-3-(2-prop-1-enoxyethyl)oxetane
SMILESCC=COCCC1COC1(F)F
InChIInChI=1S/C8H12F2O2/c1-2-4-11-5-3-7-6-12-8(7,9)10/h2,4,7H,3,5-6H2,1H3
InChIKeyLMMWWVOMYRQUDS-UHFFFAOYSA-N
MW178.18 g/mol
LogP2.17
Rot. Bonds4

About 2,2-difluoro-3-(2-prop-1-enoxyethyl)oxetane

2,2-difluoro-3-(2-prop-1-enoxyethyl)oxetane (PubChem CID 150963075) has the molecular formula C8H12F2O2 and a molecular weight of 178.18 g/mol. Its IUPAC name is 2,2-difluoro-3-(2-prop-1-enoxyethyl)oxetane.

Molecular Properties

Compound Name2,2-difluoro-3-(2-prop-1-enoxyethyl)oxetane
PubChem CID150963075
Molecular FormulaC8H12F2O2
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name2,2-difluoro-3-(2-prop-1-enoxyethyl)oxetane
SMILESCC=COCCC1COC1(F)F
InChIInChI=1S/C8H12F2O2/c1-2-4-11-5-3-7-6-12-8(7,9)10/h2,4,7H,3,5-6H2,1H3
InChIKeyLMMWWVOMYRQUDS-UHFFFAOYSA-N
XLogP2.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-1-(3,3,3-trifluoroprop-1-enoxy)butane
CID 140066402
2,2,4-Trifluoro-3-(2-prop-1-enoxyethyl)oxetane
CID 149621071
2,2,4,4-Tetrafluoro-3-(2-prop-1-enoxyethyl)oxetane
CID 149639769
2,2,4-Trifluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 149981067
3-(2-Prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane
CID 150116824
2,2-Difluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150317427
2,2,4,4-Tetrafluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150626666
2,2,4-Trifluoro-3-(prop-1-enoxymethyl)oxetane
CID 151124201
2,2-Difluoro-3-(prop-1-enoxymethyl)oxetane
CID 151448971
3-(Prop-1-enoxymethyl)-2-(trifluoromethyl)oxetane
CID 152332459
3-methyl-1-[(E)-3,3,3-trifluoroprop-1-enoxy]butane
CID 169089722
3-methyl-1-[(Z)-3,3,3-trifluoroprop-1-enoxy]butane
CID 169089724

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(2-prop-1-enoxyethyl)oxetane?
The IUPAC name of 2,2-difluoro-3-(2-prop-1-enoxyethyl)oxetane (CID 150963075) is 2,2-difluoro-3-(2-prop-1-enoxyethyl)oxetane.
What is the SMILES notation for 2,2-difluoro-3-(2-prop-1-enoxyethyl)oxetane?
The canonical SMILES for 2,2-difluoro-3-(2-prop-1-enoxyethyl)oxetane is CC=COCCC1COC1(F)F.
What is the InChIKey of 2,2-difluoro-3-(2-prop-1-enoxyethyl)oxetane?
The InChIKey is LMMWWVOMYRQUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2/c1-2-4-11-5-3-7-6-12-8(7,9)10/h2,4,7H,3,5-6H2,1H3.
What are the key properties of 2,2-difluoro-3-(2-prop-1-enoxyethyl)oxetane?
2,2-difluoro-3-(2-prop-1-enoxyethyl)oxetane has a molecular weight of 178.18 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(2-prop-1-enoxyethyl)oxetane is sourced from PubChem (CID 150963075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).