3-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane

C9H11F5O2 — CID 151187676

IUPAC3-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane
SMILESCC=COCC1OCC1C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F5O2/c1-2-3-15-5-7-6(4-16-7)8(10,11)9(12,13)14/h2-3,6-7H,4-5H2,1H3
InChIKeyNFQPLQHHSCBIAM-UHFFFAOYSA-N
MW246.17 g/mol
LogP2.75
Rot. Bonds4

About 3-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane

3-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane (PubChem CID 151187676) has the molecular formula C9H11F5O2 and a molecular weight of 246.17 g/mol. Its IUPAC name is 3-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane.

Molecular Properties

Compound Name3-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane
PubChem CID151187676
Molecular FormulaC9H11F5O2
Molecular Weight246.17 g/mol
Exact Mass246.07
IUPAC Name3-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane
SMILESCC=COCC1OCC1C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F5O2/c1-2-3-15-5-7-6(4-16-7)8(10,11)9(12,13)14/h2-3,6-7H,4-5H2,1H3
InChIKeyNFQPLQHHSCBIAM-UHFFFAOYSA-N
XLogP2.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(But-1-enoxymethyl)-2-(1,1,2,2,2-pentafluoroethyl)oxetane
CID 141062650
3-(2-Prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane
CID 150116824
2-(1,1,2,2,2-Pentafluoroethyl)-3-(prop-1-enoxymethyl)oxetane
CID 150514793
3-[2-(2-Methylprop-1-enoxy)ethyl]-2-(trifluoromethyl)oxetane
CID 151406869
2-(1-Prop-1-enoxyethyl)-4-(trifluoromethyl)oxetane
CID 151780996
2-(Prop-1-enoxymethyl)-4-(trifluoromethyl)oxetane
CID 151829132
2-(1,1,2,2,2-Pentafluoroethyl)-3-(2-prop-1-enoxyethyl)oxetane
CID 152039828
1-(1,1,2,2,2-Pentafluoroethoxy)-2-(2-prop-1-enoxyethyl)cyclobutane
CID 152459962
3-(1-Prop-1-enoxyethyl)-2-(trifluoromethyl)oxetane
CID 152693083
2-(1,1,2,2,2-Pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane
CID 151583021

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane?
The IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane (CID 151187676) is 3-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane.
What is the SMILES notation for 3-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane?
The canonical SMILES for 3-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane is CC=COCC1OCC1C(F)(F)C(F)(F)F.
What is the InChIKey of 3-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane?
The InChIKey is NFQPLQHHSCBIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5O2/c1-2-3-15-5-7-6(4-16-7)8(10,11)9(12,13)14/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 3-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane?
3-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane has a molecular weight of 246.17 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,2-pentafluoroethyl)-2-(prop-1-enoxymethyl)oxetane is sourced from PubChem (CID 151187676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).