1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-amine

C8H3F16N — CID 87348593

IUPAC1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-amine
SMILESNC(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H3F16N/c9-1(3(12,13)25)2(10,11)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1H,25H2
InChIKeyFTOFZESLKBOXBT-UHFFFAOYSA-N
MW417.09 g/mol
LogP4.61
Rot. Bonds6

About 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-amine

1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-amine (PubChem CID 87348593) has the molecular formula C8H3F16N and a molecular weight of 417.09 g/mol. Its IUPAC name is 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-amine.

Molecular Properties

Compound Name1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-amine
PubChem CID87348593
Molecular FormulaC8H3F16N
Molecular Weight417.09 g/mol
Exact Mass417.00
IUPAC Name1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-amine
SMILESNC(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H3F16N/c9-1(3(12,13)25)2(10,11)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1H,25H2
InChIKeyFTOFZESLKBOXBT-UHFFFAOYSA-N
XLogP4.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.09
LogP ≤ 54.61
H-Bond Donors ≤ 51
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 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-amine?
The IUPAC name of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-amine (CID 87348593) is 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-amine.
What is the SMILES notation for 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-amine?
The canonical SMILES for 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-amine is NC(F)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-amine?
The InChIKey is FTOFZESLKBOXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F16N/c9-1(3(12,13)25)2(10,11)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1H,25H2.
What are the key properties of 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-amine?
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-amine has a molecular weight of 417.09 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-amine is sourced from PubChem (CID 87348593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).