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

C12HF26N — CID 123409898

IUPAC1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(1,1,2,3,3,4,4,4-octafluorobutyl)butan-1-amine
SMILESFC(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)C(F)(F)C(F)(F)F
InChIInChI=1S/C12HF26N/c13-1(2(14,15)8(26,27)28)3(16,17)39(11(35,36)6(22,23)4(18,19)9(29,30)31)12(37,38)7(24,25)5(20,21)10(32,33)34/h1H
InChIKeyNRCZNLMRAZXHGI-UHFFFAOYSA-N
MW653.09 g/mol
LogP8.27
Rot. Bonds9

About 1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(1,1,2,3,3,4,4,4-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-(1,1,2,3,3,4,4,4-octafluorobutyl)butan-1-amine (PubChem CID 123409898) 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-(1,1,2,3,3,4,4,4-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-(1,1,2,3,3,4,4,4-octafluorobutyl)butan-1-amine
PubChem CID123409898
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-(1,1,2,3,3,4,4,4-octafluorobutyl)butan-1-amine
SMILESFC(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)C(F)(F)C(F)(F)F
InChIInChI=1S/C12HF26N/c13-1(2(14,15)8(26,27)28)3(16,17)39(11(35,36)6(22,23)4(18,19)9(29,30)31)12(37,38)7(24,25)5(20,21)10(32,33)34/h1H
InChIKeyNRCZNLMRAZXHGI-UHFFFAOYSA-N
XLogP8.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
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'}

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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-(1,1,2,3,3,4,4,4-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-(1,1,2,3,3,4,4,4-octafluorobutyl)butan-1-amine (CID 123409898) is 1,1,2,2,3,3,4,4,4-nonafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-(1,1,2,3,3,4,4,4-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-(1,1,2,3,3,4,4,4-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-(1,1,2,3,3,4,4,4-octafluorobutyl)butan-1-amine is FC(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)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-(1,1,2,3,3,4,4,4-octafluorobutyl)butan-1-amine?
The InChIKey is NRCZNLMRAZXHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12HF26N/c13-1(2(14,15)8(26,27)28)3(16,17)39(11(35,36)6(22,23)4(18,19)9(29,30)31)12(37,38)7(24,25)5(20,21)10(32,33)34/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-(1,1,2,3,3,4,4,4-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-(1,1,2,3,3,4,4,4-octafluorobutyl)butan-1-amine has a molecular weight of 653.09 g/mol, XLogP of 8.27, 9 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-(1,1,2,3,3,4,4,4-octafluorobutyl)butan-1-amine is sourced from PubChem (CID 123409898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).