3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)octan-1-amine

C16H9F26N — CID 172565254

IUPAC3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)octan-1-amine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H9F26N/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-43-4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h43H,1-4H2
InChIKeyKWZLZLSWOGGMAK-UHFFFAOYSA-N
MW709.20 g/mol
LogP8.83
Rot. Bonds14

About 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)octan-1-amine

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)octan-1-amine (PubChem CID 172565254) has the molecular formula C16H9F26N and a molecular weight of 709.20 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)octan-1-amine.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)octan-1-amine
PubChem CID172565254
Molecular FormulaC16H9F26N
Molecular Weight709.20 g/mol
Exact Mass709.03
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)octan-1-amine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H9F26N/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-43-4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h43H,1-4H2
InChIKeyKWZLZLSWOGGMAK-UHFFFAOYSA-N
XLogP8.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.20
LogP ≤ 58.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)octan-1-amine with MolForge

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Related Compounds

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Bis(1H,1H-perfluorooct-1-yl)amine
CID 18450406
N-trifluoroethyloctadecylamine
CID 13041690
1-Octanamine, N-(2,2,2-trifluoroethyl)-
CID 20155638
N-(2,2-Difluoroethyl)dodecan-1-amine
CID 20155641
N-(2,2,2-trifluoroethyl)hexadecan-1-amine
CID 20155645
1-Decanamine, N-(2,2,2-trifluoroethyl)-
CID 20155650
N-(2,2,2-trifluoroethyl)tetradecan-1-amine
CID 90672457
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-methyloctan-1-amine
CID 10384934
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-propan-2-yldodecan-2-amine
CID 101184675
N-(trifluoromethyl)octan-1-amine
CID 146726818

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)octan-1-amine?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)octan-1-amine (CID 172565254) is 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)octan-1-amine.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)octan-1-amine?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)octan-1-amine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCNCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)octan-1-amine?
The InChIKey is KWZLZLSWOGGMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F26N/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-43-4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h43H,1-4H2.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)octan-1-amine?
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)octan-1-amine has a molecular weight of 709.20 g/mol, XLogP of 8.83, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)octan-1-amine is sourced from PubChem (CID 172565254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).