N,N,N',N'-tetraethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorododecanediamide

C20H28F12N2O2 — CID 88608621

IUPACN,N,N',N'-tetraethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorododecanediamide
SMILESCCN(CC)C(=O)CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N(CC)CC
InChIInChI=1S/C20H28F12N2O2/c1-5-33(6-2)13(35)11-9-10-12-15(21,22)17(25,26)19(29,30)20(31,32)18(27,28)16(23,24)14(36)34(7-3)8-4/h5-12H2,1-4H3
InChIKeyXZVHNFWJTOPFEB-UHFFFAOYSA-N
MW556.43 g/mol
LogP6.10
Rot. Bonds15

About N,N,N',N'-tetraethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorododecanediamide

N,N,N',N'-tetraethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorododecanediamide (PubChem CID 88608621) has the molecular formula C20H28F12N2O2 and a molecular weight of 556.43 g/mol. Its IUPAC name is N,N,N',N'-tetraethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorododecanediamide.

Molecular Properties

Compound NameN,N,N',N'-tetraethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorododecanediamide
PubChem CID88608621
Molecular FormulaC20H28F12N2O2
Molecular Weight556.43 g/mol
Exact Mass556.20
IUPAC NameN,N,N',N'-tetraethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorododecanediamide
SMILESCCN(CC)C(=O)CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N(CC)CC
InChIInChI=1S/C20H28F12N2O2/c1-5-33(6-2)13(35)11-9-10-12-15(21,22)17(25,26)19(29,30)20(31,32)18(27,28)16(23,24)14(36)34(7-3)8-4/h5-12H2,1-4H3
InChIKeyXZVHNFWJTOPFEB-UHFFFAOYSA-N
XLogP6.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.43
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetraethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorododecanediamide?
The IUPAC name of N,N,N',N'-tetraethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorododecanediamide (CID 88608621) is N,N,N',N'-tetraethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorododecanediamide.
What is the SMILES notation for N,N,N',N'-tetraethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorododecanediamide?
The canonical SMILES for N,N,N',N'-tetraethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorododecanediamide is CCN(CC)C(=O)CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N(CC)CC.
What is the InChIKey of N,N,N',N'-tetraethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorododecanediamide?
The InChIKey is XZVHNFWJTOPFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F12N2O2/c1-5-33(6-2)13(35)11-9-10-12-15(21,22)17(25,26)19(29,30)20(31,32)18(27,28)16(23,24)14(36)34(7-3)8-4/h5-12H2,1-4H3.
What are the key properties of N,N,N',N'-tetraethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorododecanediamide?
N,N,N',N'-tetraethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorododecanediamide has a molecular weight of 556.43 g/mol, XLogP of 6.10, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetraethyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorododecanediamide is sourced from PubChem (CID 88608621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).