1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)hexan-1-amine

C10F23N — CID 19783534

IUPAC1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)hexan-1-amine
SMILESFC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10F23N/c11-1(12,3(15,16)5(19,20)21)2(13,14)4(17,18)8(28,29)34(9(30,31)6(22,23)24)10(32,33)7(25,26)27
InChIKeyXDJOUWJLZAWHSI-UHFFFAOYSA-N
MW571.07 g/mol
LogP7.29
Rot. Bonds7

About 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)hexan-1-amine

1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)hexan-1-amine (PubChem CID 19783534) has the molecular formula C10F23N and a molecular weight of 571.07 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)hexan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)hexan-1-amine
PubChem CID19783534
Molecular FormulaC10F23N
Molecular Weight571.07 g/mol
Exact Mass570.97
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)hexan-1-amine
SMILESFC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10F23N/c11-1(12,3(15,16)5(19,20)21)2(13,14)4(17,18)8(28,29)34(9(30,31)6(22,23)24)10(32,33)7(25,26)27
InChIKeyXDJOUWJLZAWHSI-UHFFFAOYSA-N
XLogP7.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.07
LogP ≤ 57.29
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 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)hexan-1-amine?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)hexan-1-amine (CID 19783534) is 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)hexan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)hexan-1-amine?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)hexan-1-amine is FC(F)(F)C(F)(F)N(C(F)(F)C(F)(F)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 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)hexan-1-amine?
The InChIKey is XDJOUWJLZAWHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F23N/c11-1(12,3(15,16)5(19,20)21)2(13,14)4(17,18)8(28,29)34(9(30,31)6(22,23)24)10(32,33)7(25,26)27.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)hexan-1-amine?
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)hexan-1-amine has a molecular weight of 571.07 g/mol, XLogP of 7.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)hexan-1-amine is sourced from PubChem (CID 19783534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).