1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pentan-1-amine

C9F21N — CID 19783536

IUPAC1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pentan-1-amine
SMILESFC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9F21N/c10-1(11,2(12,13)4(16,17)18)3(14,15)7(25,26)31(8(27,28)5(19,20)21)9(29,30)6(22,23)24
InChIKeyWBQMKAKILKYGRY-UHFFFAOYSA-N
MW521.06 g/mol
LogP6.66
Rot. Bonds6

About 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pentan-1-amine

1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pentan-1-amine (PubChem CID 19783536) has the molecular formula C9F21N and a molecular weight of 521.06 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pentan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pentan-1-amine
PubChem CID19783536
Molecular FormulaC9F21N
Molecular Weight521.06 g/mol
Exact Mass520.97
IUPAC Name1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pentan-1-amine
SMILESFC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9F21N/c10-1(11,2(12,13)4(16,17)18)3(14,15)7(25,26)31(8(27,28)5(19,20)21)9(29,30)6(22,23)24
InChIKeyWBQMKAKILKYGRY-UHFFFAOYSA-N
XLogP6.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.06
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pentan-1-amine?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pentan-1-amine (CID 19783536) is 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pentan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pentan-1-amine?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pentan-1-amine is FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pentan-1-amine?
The InChIKey is WBQMKAKILKYGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F21N/c10-1(11,2(12,13)4(16,17)18)3(14,15)7(25,26)31(8(27,28)5(19,20)21)9(29,30)6(22,23)24.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pentan-1-amine?
1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pentan-1-amine has a molecular weight of 521.06 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)pentan-1-amine is sourced from PubChem (CID 19783536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).