N,N,1,2,2-pentafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butan-1-amine

C9H10F11NO — CID 137474617

IUPACN,N,1,2,2-pentafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butan-1-amine
SMILESCC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)N(F)F
InChIInChI=1S/C9H10F11NO/c1-3(7(12,13)5(10)9(16,17)18)22-4(2)8(14,15)6(11)21(19)20/h3-6H,1-2H3
InChIKeyNYDWKCHAMJVDAO-UHFFFAOYSA-N
MW357.16 g/mol
LogP4.32
Rot. Bonds7

About N,N,1,2,2-pentafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butan-1-amine

N,N,1,2,2-pentafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butan-1-amine (PubChem CID 137474617) has the molecular formula C9H10F11NO and a molecular weight of 357.16 g/mol. Its IUPAC name is N,N,1,2,2-pentafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butan-1-amine.

Molecular Properties

Compound NameN,N,1,2,2-pentafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butan-1-amine
PubChem CID137474617
Molecular FormulaC9H10F11NO
Molecular Weight357.16 g/mol
Exact Mass357.06
IUPAC NameN,N,1,2,2-pentafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butan-1-amine
SMILESCC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)N(F)F
InChIInChI=1S/C9H10F11NO/c1-3(7(12,13)5(10)9(16,17)18)22-4(2)8(14,15)6(11)21(19)20/h3-6H,1-2H3
InChIKeyNYDWKCHAMJVDAO-UHFFFAOYSA-N
XLogP4.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.16
LogP ≤ 54.32
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-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butan-1-amine?
The IUPAC name of N,N,1,2,2-pentafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butan-1-amine (CID 137474617) is N,N,1,2,2-pentafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butan-1-amine.
What is the SMILES notation for N,N,1,2,2-pentafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butan-1-amine?
The canonical SMILES for N,N,1,2,2-pentafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butan-1-amine is CC(OC(C)C(F)(F)C(F)C(F)(F)F)C(F)(F)C(F)N(F)F.
What is the InChIKey of N,N,1,2,2-pentafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butan-1-amine?
The InChIKey is NYDWKCHAMJVDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F11NO/c1-3(7(12,13)5(10)9(16,17)18)22-4(2)8(14,15)6(11)21(19)20/h3-6H,1-2H3.
What are the key properties of N,N,1,2,2-pentafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butan-1-amine?
N,N,1,2,2-pentafluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butan-1-amine has a molecular weight of 357.16 g/mol, XLogP of 4.32, 7 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-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)butan-1-amine is sourced from PubChem (CID 137474617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).