N-(1,3-dioxolan-2-ylmethoxy)-2,2,3,3,3-pentafluoro-1-phenylpropan-1-imine

C13H12F5NO3 — CID 54141340

IUPACN-(1,3-dioxolan-2-ylmethoxy)-2,2,3,3,3-pentafluoro-1-phenylpropan-1-imine
SMILESFC(F)(F)C(F)(F)C(=NOCC1OCCO1)c1ccccc1
InChIInChI=1S/C13H12F5NO3/c14-12(15,13(16,17)18)11(9-4-2-1-3-5-9)19-22-8-10-20-6-7-21-10/h1-5,10H,6-8H2
InChIKeyOBHXPPMGSVFONV-UHFFFAOYSA-N
MW325.23 g/mol
LogP2.98
Rot. Bonds5

About N-(1,3-dioxolan-2-ylmethoxy)-2,2,3,3,3-pentafluoro-1-phenylpropan-1-imine

N-(1,3-dioxolan-2-ylmethoxy)-2,2,3,3,3-pentafluoro-1-phenylpropan-1-imine (PubChem CID 54141340) has the molecular formula C13H12F5NO3 and a molecular weight of 325.23 g/mol. Its IUPAC name is N-(1,3-dioxolan-2-ylmethoxy)-2,2,3,3,3-pentafluoro-1-phenylpropan-1-imine.

Molecular Properties

Compound NameN-(1,3-dioxolan-2-ylmethoxy)-2,2,3,3,3-pentafluoro-1-phenylpropan-1-imine
PubChem CID54141340
Molecular FormulaC13H12F5NO3
Molecular Weight325.23 g/mol
Exact Mass325.07
IUPAC NameN-(1,3-dioxolan-2-ylmethoxy)-2,2,3,3,3-pentafluoro-1-phenylpropan-1-imine
SMILESFC(F)(F)C(F)(F)C(=NOCC1OCCO1)c1ccccc1
InChIInChI=1S/C13H12F5NO3/c14-12(15,13(16,17)18)11(9-4-2-1-3-5-9)19-22-8-10-20-6-7-21-10/h1-5,10H,6-8H2
InChIKeyOBHXPPMGSVFONV-UHFFFAOYSA-N
XLogP2.98
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-2-ylmethoxy)-2,2,3,3,3-pentafluoro-1-phenylpropan-1-imine?
The IUPAC name of N-(1,3-dioxolan-2-ylmethoxy)-2,2,3,3,3-pentafluoro-1-phenylpropan-1-imine (CID 54141340) is N-(1,3-dioxolan-2-ylmethoxy)-2,2,3,3,3-pentafluoro-1-phenylpropan-1-imine.
What is the SMILES notation for N-(1,3-dioxolan-2-ylmethoxy)-2,2,3,3,3-pentafluoro-1-phenylpropan-1-imine?
The canonical SMILES for N-(1,3-dioxolan-2-ylmethoxy)-2,2,3,3,3-pentafluoro-1-phenylpropan-1-imine is FC(F)(F)C(F)(F)C(=NOCC1OCCO1)c1ccccc1.
What is the InChIKey of N-(1,3-dioxolan-2-ylmethoxy)-2,2,3,3,3-pentafluoro-1-phenylpropan-1-imine?
The InChIKey is OBHXPPMGSVFONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F5NO3/c14-12(15,13(16,17)18)11(9-4-2-1-3-5-9)19-22-8-10-20-6-7-21-10/h1-5,10H,6-8H2.
What are the key properties of N-(1,3-dioxolan-2-ylmethoxy)-2,2,3,3,3-pentafluoro-1-phenylpropan-1-imine?
N-(1,3-dioxolan-2-ylmethoxy)-2,2,3,3,3-pentafluoro-1-phenylpropan-1-imine has a molecular weight of 325.23 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-2-ylmethoxy)-2,2,3,3,3-pentafluoro-1-phenylpropan-1-imine is sourced from PubChem (CID 54141340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).