1,1'-biphenyl;1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,2-pentafluoroethyl)nonan-1-amine

C23H24F11N — CID 87883005

IUPAC1,1'-biphenyl;1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,2-pentafluoroethyl)nonan-1-amine
SMILESCCCCCCC(F)(F)C(F)(F)C(F)(F)NC(F)(F)C(F)(F)F.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C11H14F11N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3-4-5-6-7(12,13)8(14,15)10(19,20)23-11(21,22)9(16,17)18/h1-10H;23H,2-6H2,1H3
InChIKeyNKXRRVIUSWVHED-UHFFFAOYSA-N
MW523.43 g/mol
LogP8.92
Rot. Bonds10

About 1,1'-biphenyl;1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,2-pentafluoroethyl)nonan-1-amine

1,1'-biphenyl;1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,2-pentafluoroethyl)nonan-1-amine (PubChem CID 87883005) has the molecular formula C23H24F11N and a molecular weight of 523.43 g/mol. Its IUPAC name is 1,1'-biphenyl;1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,2-pentafluoroethyl)nonan-1-amine.

Molecular Properties

Compound Name1,1'-biphenyl;1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,2-pentafluoroethyl)nonan-1-amine
PubChem CID87883005
Molecular FormulaC23H24F11N
Molecular Weight523.43 g/mol
Exact Mass523.17
IUPAC Name1,1'-biphenyl;1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,2-pentafluoroethyl)nonan-1-amine
SMILESCCCCCCC(F)(F)C(F)(F)C(F)(F)NC(F)(F)C(F)(F)F.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C11H14F11N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3-4-5-6-7(12,13)8(14,15)10(19,20)23-11(21,22)9(16,17)18/h1-10H;23H,2-6H2,1H3
InChIKeyNKXRRVIUSWVHED-UHFFFAOYSA-N
XLogP8.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.43
LogP ≤ 58.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;1,1,2,2,3,3-hexafluoro-N-methylnonan-1-amine
CID 87882927
1,1'-biphenyl;hexadecane
CID 173308514
2,3,3,4,4-pentafluoro-2-phenyldecane-1,1,1-triol
CID 151575532
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
CID 138394291
1,1-difluoroheptylbenzene
CID 12070547
1,1,1,2,2-pentafluorononadecane
CID 98452406

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,2-pentafluoroethyl)nonan-1-amine?
The IUPAC name of 1,1'-biphenyl;1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,2-pentafluoroethyl)nonan-1-amine (CID 87883005) is 1,1'-biphenyl;1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,2-pentafluoroethyl)nonan-1-amine.
What is the SMILES notation for 1,1'-biphenyl;1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,2-pentafluoroethyl)nonan-1-amine?
The canonical SMILES for 1,1'-biphenyl;1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,2-pentafluoroethyl)nonan-1-amine is CCCCCCC(F)(F)C(F)(F)C(F)(F)NC(F)(F)C(F)(F)F.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,2-pentafluoroethyl)nonan-1-amine?
The InChIKey is NKXRRVIUSWVHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C11H14F11N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3-4-5-6-7(12,13)8(14,15)10(19,20)23-11(21,22)9(16,17)18/h1-10H;23H,2-6H2,1H3.
What are the key properties of 1,1'-biphenyl;1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,2-pentafluoroethyl)nonan-1-amine?
1,1'-biphenyl;1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,2-pentafluoroethyl)nonan-1-amine has a molecular weight of 523.43 g/mol, XLogP of 8.92, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1,1,2,2,3,3-hexafluoro-N-(1,1,2,2,2-pentafluoroethyl)nonan-1-amine is sourced from PubChem (CID 87883005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).