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-tetrafluoroethyl)butan-1-amine

C10HF22N — CID 57369719

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-tetrafluoroethyl)butan-1-amine
SMILESFC(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/C10HF22N/c11-1(12)2(13,14)33(9(29,30)5(19,20)3(15,16)7(23,24)25)10(31,32)6(21,22)4(17,18)8(26,27)28/h1H
InChIKeyXIZJNXITWZVXFR-UHFFFAOYSA-N
MW553.08 g/mol
LogP7.00
Rot. Bonds8

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-tetrafluoroethyl)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-tetrafluoroethyl)butan-1-amine (PubChem CID 57369719) has the molecular formula C10HF22N and a molecular weight of 553.08 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-tetrafluoroethyl)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-tetrafluoroethyl)butan-1-amine
PubChem CID57369719
Molecular FormulaC10HF22N
Molecular Weight553.08 g/mol
Exact Mass552.98
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-tetrafluoroethyl)butan-1-amine
SMILESFC(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/C10HF22N/c11-1(12)2(13,14)33(9(29,30)5(19,20)3(15,16)7(23,24)25)10(31,32)6(21,22)4(17,18)8(26,27)28/h1H
InChIKeyXIZJNXITWZVXFR-UHFFFAOYSA-N
XLogP7.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.08
LogP ≤ 57.00
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-(1,1,2,2-tetrafluoroethyl)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-tetrafluoroethyl)butan-1-amine (CID 57369719) 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-tetrafluoroethyl)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-tetrafluoroethyl)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-tetrafluoroethyl)butan-1-amine is FC(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-tetrafluoroethyl)butan-1-amine?
The InChIKey is XIZJNXITWZVXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10HF22N/c11-1(12)2(13,14)33(9(29,30)5(19,20)3(15,16)7(23,24)25)10(31,32)6(21,22)4(17,18)8(26,27)28/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-tetrafluoroethyl)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-tetrafluoroethyl)butan-1-amine has a molecular weight of 553.08 g/mol, XLogP of 7.00, 8 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-tetrafluoroethyl)butan-1-amine is sourced from PubChem (CID 57369719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).