2,2-difluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane

C9H14F2O2 — CID 150317427

IUPAC2,2-difluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
SMILESCC(C)=COCCC1COC1(F)F
InChIInChI=1S/C9H14F2O2/c1-7(2)5-12-4-3-8-6-13-9(8,10)11/h5,8H,3-4,6H2,1-2H3
InChIKeyGMXFHHGQOTZSMS-UHFFFAOYSA-N
MW192.20 g/mol
LogP2.56
Rot. Bonds4

About 2,2-difluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane

2,2-difluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane (PubChem CID 150317427) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is 2,2-difluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane.

Molecular Properties

Compound Name2,2-difluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
PubChem CID150317427
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name2,2-difluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
SMILESCC(C)=COCCC1COC1(F)F
InChIInChI=1S/C9H14F2O2/c1-7(2)5-12-4-3-8-6-13-9(8,10)11/h5,8H,3-4,6H2,1-2H3
InChIKeyGMXFHHGQOTZSMS-UHFFFAOYSA-N
XLogP2.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.56
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'}

Analyze 2,2-difluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2,2,4,4-Tetrafluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane
CID 150626666
2,2-Difluoro-3-(2-prop-1-enoxyethyl)oxetane
CID 150963075
3-[2-(2-Methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane
CID 151406869
3-[2-(2-Methylprop-1-enoxy)ethyl]oxetane
CID 150729058

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The IUPAC name of 2,2-difluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane (CID 150317427) is 2,2-difluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane.
What is the SMILES notation for 2,2-difluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The canonical SMILES for 2,2-difluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane is CC(C)=COCCC1COC1(F)F.
What is the InChIKey of 2,2-difluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
The InChIKey is GMXFHHGQOTZSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O2/c1-7(2)5-12-4-3-8-6-13-9(8,10)11/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 2,2-difluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane?
2,2-difluoro-3-[2-(2-methylprop-1-enoxy)ethyl]oxetane has a molecular weight of 192.20 g/mol, XLogP of 2.56, 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-(2-methylprop-1-enoxy)ethyl]oxetane is sourced from PubChem (CID 150317427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).