3-(2-fluoro-2-methanidylpropoxy)oxolane

C8H14FO2- — CID 91615622

IUPAC3-(2-fluoro-2-methanidylpropoxy)oxolane
SMILES[CH2-]C(C)(F)COC1CCOC1
InChIInChI=1S/C8H14FO2/c1-8(2,9)6-11-7-3-4-10-5-7/h7H,1,3-6H2,2H3/q-1
InChIKeySNQPEAHWGRRXPQ-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.35
Rot. Bonds3

About 3-(2-fluoro-2-methanidylpropoxy)oxolane

3-(2-fluoro-2-methanidylpropoxy)oxolane (PubChem CID 91615622) has the molecular formula C8H14FO2- and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-(2-fluoro-2-methanidylpropoxy)oxolane.

Molecular Properties

Compound Name3-(2-fluoro-2-methanidylpropoxy)oxolane
PubChem CID91615622
Molecular FormulaC8H14FO2-
Molecular Weight161.20 g/mol
Exact Mass161.10
IUPAC Name3-(2-fluoro-2-methanidylpropoxy)oxolane
SMILES[CH2-]C(C)(F)COC1CCOC1
InChIInChI=1S/C8H14FO2/c1-8(2,9)6-11-7-3-4-10-5-7/h7H,1,3-6H2,2H3/q-1
InChIKeySNQPEAHWGRRXPQ-UHFFFAOYSA-N
XLogP1.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-2-methanidylpropoxy)oxolane?
The IUPAC name of 3-(2-fluoro-2-methanidylpropoxy)oxolane (CID 91615622) is 3-(2-fluoro-2-methanidylpropoxy)oxolane.
What is the SMILES notation for 3-(2-fluoro-2-methanidylpropoxy)oxolane?
The canonical SMILES for 3-(2-fluoro-2-methanidylpropoxy)oxolane is [CH2-]C(C)(F)COC1CCOC1.
What is the InChIKey of 3-(2-fluoro-2-methanidylpropoxy)oxolane?
The InChIKey is SNQPEAHWGRRXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FO2/c1-8(2,9)6-11-7-3-4-10-5-7/h7H,1,3-6H2,2H3/q-1.
What are the key properties of 3-(2-fluoro-2-methanidylpropoxy)oxolane?
3-(2-fluoro-2-methanidylpropoxy)oxolane has a molecular weight of 161.20 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-2-methanidylpropoxy)oxolane is sourced from PubChem (CID 91615622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).