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

C8H12F2O2 — CID 151089497

IUPAC2,3-difluoro-2-(2-prop-1-enoxyethyl)oxetane
SMILESCC=COCCC1(F)OCC1F
InChIInChI=1S/C8H12F2O2/c1-2-4-11-5-3-8(10)7(9)6-12-8/h2,4,7H,3,5-6H2,1H3
InChIKeyMLVBLRMGYGUBOT-UHFFFAOYSA-N
MW178.18 g/mol
LogP1.96
Rot. Bonds4

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

2,3-difluoro-2-(2-prop-1-enoxyethyl)oxetane (PubChem CID 151089497) has the molecular formula C8H12F2O2 and a molecular weight of 178.18 g/mol. Its IUPAC name is 2,3-difluoro-2-(2-prop-1-enoxyethyl)oxetane.

Molecular Properties

Compound Name2,3-difluoro-2-(2-prop-1-enoxyethyl)oxetane
PubChem CID151089497
Molecular FormulaC8H12F2O2
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name2,3-difluoro-2-(2-prop-1-enoxyethyl)oxetane
SMILESCC=COCCC1(F)OCC1F
InChIInChI=1S/C8H12F2O2/c1-2-4-11-5-3-8(10)7(9)6-12-8/h2,4,7H,3,5-6H2,1H3
InChIKeyMLVBLRMGYGUBOT-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
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

2,4-Difluoro-2-(2-prop-1-enoxyethyl)oxetane
CID 150007912
2,3,3-Trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150035645
2,4-Difluoro-2-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150190710
2,3-Difluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150198232
2,3-Difluoro-2-(2-prop-1-enoxypropyl)oxetane
CID 150404889
2,2,3-Trifluoro-4-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151317514
2,3-Difluoro-2-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 151998660
2,3,3-Trifluoro-4-(2-prop-1-enoxypropyl)oxetane
CID 150814803
2-(2-Prop-1-enoxyethyl)oxetane
CID 141062647

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-2-(2-prop-1-enoxyethyl)oxetane?
The IUPAC name of 2,3-difluoro-2-(2-prop-1-enoxyethyl)oxetane (CID 151089497) is 2,3-difluoro-2-(2-prop-1-enoxyethyl)oxetane.
What is the SMILES notation for 2,3-difluoro-2-(2-prop-1-enoxyethyl)oxetane?
The canonical SMILES for 2,3-difluoro-2-(2-prop-1-enoxyethyl)oxetane is CC=COCCC1(F)OCC1F.
What is the InChIKey of 2,3-difluoro-2-(2-prop-1-enoxyethyl)oxetane?
The InChIKey is MLVBLRMGYGUBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2/c1-2-4-11-5-3-8(10)7(9)6-12-8/h2,4,7H,3,5-6H2,1H3.
What are the key properties of 2,3-difluoro-2-(2-prop-1-enoxyethyl)oxetane?
2,3-difluoro-2-(2-prop-1-enoxyethyl)oxetane has a molecular weight of 178.18 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-2-(2-prop-1-enoxyethyl)oxetane is sourced from PubChem (CID 151089497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).