3,3-difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane

C9H14F2O2 — CID 159424119

IUPAC3,3-difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane
SMILESC1CC(C2CO2)O1.C=C(C)C(F)F
InChIInChI=1S/C5H8O2.C4H6F2/c1-2-6-4(1)5-3-7-5;1-3(2)4(5)6/h4-5H,1-3H2;4H,1H2,2H3
InChIKeyLQDBBBDNBSPDHT-UHFFFAOYSA-N
MW192.20 g/mol
LogP2.00
Rot. Bonds2

About 3,3-difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane

3,3-difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane (PubChem CID 159424119) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is 3,3-difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane.

Molecular Properties

Compound Name3,3-difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane
PubChem CID159424119
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name3,3-difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane
SMILESC1CC(C2CO2)O1.C=C(C)C(F)F
InChIInChI=1S/C5H8O2.C4H6F2/c1-2-6-4(1)5-3-7-5;1-3(2)4(5)6/h4-5H,1-3H2;4H,1H2,2H3
InChIKeyLQDBBBDNBSPDHT-UHFFFAOYSA-N
XLogP2.00
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methylprop-1-enoxymethyl)-4-(trifluoromethyl)oxetane
CID 150355616
2-Methylprop-1-ene;2-(oxiran-2-yl)-2-(trifluoromethyl)oxetane
CID 161410756

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane?
The IUPAC name of 3,3-difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane (CID 159424119) is 3,3-difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane.
What is the SMILES notation for 3,3-difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane?
The canonical SMILES for 3,3-difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane is C1CC(C2CO2)O1.C=C(C)C(F)F.
What is the InChIKey of 3,3-difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane?
The InChIKey is LQDBBBDNBSPDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C4H6F2/c1-2-6-4(1)5-3-7-5;1-3(2)4(5)6/h4-5H,1-3H2;4H,1H2,2H3.
What are the key properties of 3,3-difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane?
3,3-difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane has a molecular weight of 192.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methylprop-1-ene;2-(oxiran-2-yl)oxetane is sourced from PubChem (CID 159424119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).