N,N,1,2,3,3,3-heptafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-1-amine

C10H8F13NO — CID 137452219

IUPACN,N,1,2,3,3,3-heptafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-1-amine
SMILESFC(C(F)(F)F)C(F)(F)C1CCC(C(F)(C(F)N(F)F)C(F)(F)F)O1
InChIInChI=1S/C10H8F13NO/c11-5(9(16,17)18)8(14,15)4-2-1-3(25-4)7(13,10(19,20)21)6(12)24(22)23/h3-6H,1-2H2
InChIKeyKPMRZWGSQRQQTL-UHFFFAOYSA-N
MW405.15 g/mol
LogP4.71
Rot. Bonds5

About N,N,1,2,3,3,3-heptafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-1-amine

N,N,1,2,3,3,3-heptafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-1-amine (PubChem CID 137452219) has the molecular formula C10H8F13NO and a molecular weight of 405.15 g/mol. Its IUPAC name is N,N,1,2,3,3,3-heptafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-1-amine.

Molecular Properties

Compound NameN,N,1,2,3,3,3-heptafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-1-amine
PubChem CID137452219
Molecular FormulaC10H8F13NO
Molecular Weight405.15 g/mol
Exact Mass405.04
IUPAC NameN,N,1,2,3,3,3-heptafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-1-amine
SMILESFC(C(F)(F)F)C(F)(F)C1CCC(C(F)(C(F)N(F)F)C(F)(F)F)O1
InChIInChI=1S/C10H8F13NO/c11-5(9(16,17)18)8(14,15)4-2-1-3(25-4)7(13,10(19,20)21)6(12)24(22)23/h3-6H,1-2H2
InChIKeyKPMRZWGSQRQQTL-UHFFFAOYSA-N
XLogP4.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.15
LogP ≤ 54.71
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,1,2,3,3,3-heptafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-1-amine?
The IUPAC name of N,N,1,2,3,3,3-heptafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-1-amine (CID 137452219) is N,N,1,2,3,3,3-heptafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-1-amine.
What is the SMILES notation for N,N,1,2,3,3,3-heptafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-1-amine?
The canonical SMILES for N,N,1,2,3,3,3-heptafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-1-amine is FC(C(F)(F)F)C(F)(F)C1CCC(C(F)(C(F)N(F)F)C(F)(F)F)O1.
What is the InChIKey of N,N,1,2,3,3,3-heptafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-1-amine?
The InChIKey is KPMRZWGSQRQQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F13NO/c11-5(9(16,17)18)8(14,15)4-2-1-3(25-4)7(13,10(19,20)21)6(12)24(22)23/h3-6H,1-2H2.
What are the key properties of N,N,1,2,3,3,3-heptafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-1-amine?
N,N,1,2,3,3,3-heptafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-1-amine has a molecular weight of 405.15 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,2,3,3,3-heptafluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]propan-1-amine is sourced from PubChem (CID 137452219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).