1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(1,1,2,2,3,3,4,4-octafluorobutyl)butan-1-amine

C12HF26N — CID 123251174

IUPAC1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(1,1,2,2,3,3,4,4-octafluorobutyl)butan-1-amine
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12HF26N/c13-1(14)2(15,16)3(17,18)10(33,34)39(11(35,36)6(23,24)4(19,20)8(27,28)29)12(37,38)7(25,26)5(21,22)9(30,31)32/h1H
InChIKeyDDIJTDFCGOCKMA-UHFFFAOYSA-N
MW653.09 g/mol
LogP8.27
Rot. Bonds10

About 1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(1,1,2,2,3,3,4,4-octafluorobutyl)butan-1-amine

1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(1,1,2,2,3,3,4,4-octafluorobutyl)butan-1-amine (PubChem CID 123251174) has the molecular formula C12HF26N and a molecular weight of 653.09 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(1,1,2,2,3,3,4,4-octafluorobutyl)butan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(1,1,2,2,3,3,4,4-octafluorobutyl)butan-1-amine
PubChem CID123251174
Molecular FormulaC12HF26N
Molecular Weight653.09 g/mol
Exact Mass652.97
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(1,1,2,2,3,3,4,4-octafluorobutyl)butan-1-amine
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12HF26N/c13-1(14)2(15,16)3(17,18)10(33,34)39(11(35,36)6(23,24)4(19,20)8(27,28)29)12(37,38)7(25,26)5(21,22)9(30,31)32/h1H
InChIKeyDDIJTDFCGOCKMA-UHFFFAOYSA-N
XLogP8.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.09
LogP ≤ 58.27
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'}

Analyze 1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(1,1,2,2,3,3,4,4-octafluorobutyl)butan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(1,1,2,2,3,3,4,4-octafluorobutyl)butan-1-amine?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(1,1,2,2,3,3,4,4-octafluorobutyl)butan-1-amine (CID 123251174) is 1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(1,1,2,2,3,3,4,4-octafluorobutyl)butan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(1,1,2,2,3,3,4,4-octafluorobutyl)butan-1-amine?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(1,1,2,2,3,3,4,4-octafluorobutyl)butan-1-amine is FC(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(1,1,2,2,3,3,4,4-octafluorobutyl)butan-1-amine?
The InChIKey is DDIJTDFCGOCKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12HF26N/c13-1(14)2(15,16)3(17,18)10(33,34)39(11(35,36)6(23,24)4(19,20)8(27,28)29)12(37,38)7(25,26)5(21,22)9(30,31)32/h1H.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(1,1,2,2,3,3,4,4-octafluorobutyl)butan-1-amine?
1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(1,1,2,2,3,3,4,4-octafluorobutyl)butan-1-amine has a molecular weight of 653.09 g/mol, XLogP of 8.27, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(1,1,2,2,3,3,4,4-octafluorobutyl)butan-1-amine is sourced from PubChem (CID 123251174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).