2-(1,1,1,2,3-pentafluoropropan-2-yloxymethyl)oxirane

C6H7F5O2 — CID 22715516

IUPAC2-(1,1,1,2,3-pentafluoropropan-2-yloxymethyl)oxirane
SMILESFCC(F)(OCC1CO1)C(F)(F)F
InChIInChI=1S/C6H7F5O2/c7-3-5(8,6(9,10)11)13-2-4-1-12-4/h4H,1-3H2
InChIKeyNIBPZCNRIWBGBC-UHFFFAOYSA-N
MW206.11 g/mol
LogP1.60
Rot. Bonds4

About 2-(1,1,1,2,3-pentafluoropropan-2-yloxymethyl)oxirane

2-(1,1,1,2,3-pentafluoropropan-2-yloxymethyl)oxirane (PubChem CID 22715516) has the molecular formula C6H7F5O2 and a molecular weight of 206.11 g/mol. Its IUPAC name is 2-(1,1,1,2,3-pentafluoropropan-2-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(1,1,1,2,3-pentafluoropropan-2-yloxymethyl)oxirane
PubChem CID22715516
Molecular FormulaC6H7F5O2
Molecular Weight206.11 g/mol
Exact Mass206.04
IUPAC Name2-(1,1,1,2,3-pentafluoropropan-2-yloxymethyl)oxirane
SMILESFCC(F)(OCC1CO1)C(F)(F)F
InChIInChI=1S/C6H7F5O2/c7-3-5(8,6(9,10)11)13-2-4-1-12-4/h4H,1-3H2
InChIKeyNIBPZCNRIWBGBC-UHFFFAOYSA-N
XLogP1.60
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3-pentafluoropropan-2-yloxymethyl)oxirane?
The IUPAC name of 2-(1,1,1,2,3-pentafluoropropan-2-yloxymethyl)oxirane (CID 22715516) is 2-(1,1,1,2,3-pentafluoropropan-2-yloxymethyl)oxirane.
What is the SMILES notation for 2-(1,1,1,2,3-pentafluoropropan-2-yloxymethyl)oxirane?
The canonical SMILES for 2-(1,1,1,2,3-pentafluoropropan-2-yloxymethyl)oxirane is FCC(F)(OCC1CO1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,2,3-pentafluoropropan-2-yloxymethyl)oxirane?
The InChIKey is NIBPZCNRIWBGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5O2/c7-3-5(8,6(9,10)11)13-2-4-1-12-4/h4H,1-3H2.
What are the key properties of 2-(1,1,1,2,3-pentafluoropropan-2-yloxymethyl)oxirane?
2-(1,1,1,2,3-pentafluoropropan-2-yloxymethyl)oxirane has a molecular weight of 206.11 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3-pentafluoropropan-2-yloxymethyl)oxirane is sourced from PubChem (CID 22715516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).