N,N,1,2,2-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethanamine

C9H8F11NO — CID 137452190

IUPACN,N,1,2,2-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethanamine
SMILESFC(N(F)F)C(F)(F)C1CCC(C(F)(F)C(F)C(F)(F)F)O1
InChIInChI=1S/C9H8F11NO/c10-5(9(16,17)18)7(12,13)3-1-2-4(22-3)8(14,15)6(11)21(19)20/h3-6H,1-2H2
InChIKeyOAGATVZWVPTHAC-UHFFFAOYSA-N
MW355.15 g/mol
LogP4.07
Rot. Bonds5

About N,N,1,2,2-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethanamine

N,N,1,2,2-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethanamine (PubChem CID 137452190) has the molecular formula C9H8F11NO and a molecular weight of 355.15 g/mol. Its IUPAC name is N,N,1,2,2-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethanamine.

Molecular Properties

Compound NameN,N,1,2,2-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethanamine
PubChem CID137452190
Molecular FormulaC9H8F11NO
Molecular Weight355.15 g/mol
Exact Mass355.04
IUPAC NameN,N,1,2,2-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethanamine
SMILESFC(N(F)F)C(F)(F)C1CCC(C(F)(F)C(F)C(F)(F)F)O1
InChIInChI=1S/C9H8F11NO/c10-5(9(16,17)18)7(12,13)3-1-2-4(22-3)8(14,15)6(11)21(19)20/h3-6H,1-2H2
InChIKeyOAGATVZWVPTHAC-UHFFFAOYSA-N
XLogP4.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,1,2,2-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethanamine?
The IUPAC name of N,N,1,2,2-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethanamine (CID 137452190) is N,N,1,2,2-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethanamine.
What is the SMILES notation for N,N,1,2,2-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethanamine?
The canonical SMILES for N,N,1,2,2-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethanamine is FC(N(F)F)C(F)(F)C1CCC(C(F)(F)C(F)C(F)(F)F)O1.
What is the InChIKey of N,N,1,2,2-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethanamine?
The InChIKey is OAGATVZWVPTHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F11NO/c10-5(9(16,17)18)7(12,13)3-1-2-4(22-3)8(14,15)6(11)21(19)20/h3-6H,1-2H2.
What are the key properties of N,N,1,2,2-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethanamine?
N,N,1,2,2-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethanamine has a molecular weight of 355.15 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,2,2-pentafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethanamine is sourced from PubChem (CID 137452190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).