N'-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propyl]ethane-1,2-diamine

C17H19F19N2O4 — CID 118006259

IUPACN'-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propyl]ethane-1,2-diamine
SMILESCC(F)(OC(F)(F)C(C)(F)OC(F)(F)C(C)(F)OC(F)(F)C(C)(F)OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)NCCN
InChIInChI=1S/C17H19F19N2O4/c1-7(18,13(27,28)38-6-5-37)39-14(29,30)8(2,19)40-15(31,32)9(3,20)41-16(33,34)10(4,21)42-17(35,36)11(22,23)12(24,25)26/h38H,5-6,37H2,1-4H3
InChIKeyIGFCDFNWSSPOMJ-UHFFFAOYSA-N
MW676.31 g/mol
LogP6.51
Rot. Bonds16

About N'-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propyl]ethane-1,2-diamine

N'-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propyl]ethane-1,2-diamine (PubChem CID 118006259) has the molecular formula C17H19F19N2O4 and a molecular weight of 676.31 g/mol. Its IUPAC name is N'-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propyl]ethane-1,2-diamine
PubChem CID118006259
Molecular FormulaC17H19F19N2O4
Molecular Weight676.31 g/mol
Exact Mass676.10
IUPAC NameN'-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propyl]ethane-1,2-diamine
SMILESCC(F)(OC(F)(F)C(C)(F)OC(F)(F)C(C)(F)OC(F)(F)C(C)(F)OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)NCCN
InChIInChI=1S/C17H19F19N2O4/c1-7(18,13(27,28)38-6-5-37)39-14(29,30)8(2,19)40-15(31,32)9(3,20)41-16(33,34)10(4,21)42-17(35,36)11(22,23)12(24,25)26/h38H,5-6,37H2,1-4H3
InChIKeyIGFCDFNWSSPOMJ-UHFFFAOYSA-N
XLogP6.51
TPSA74.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.31
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N'-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propyl]ethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propyl]ethane-1,2-diamine?
The IUPAC name of N'-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propyl]ethane-1,2-diamine (CID 118006259) is N'-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propyl]ethane-1,2-diamine?
The canonical SMILES for N'-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propyl]ethane-1,2-diamine is CC(F)(OC(F)(F)C(C)(F)OC(F)(F)C(C)(F)OC(F)(F)C(C)(F)OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)NCCN.
What is the InChIKey of N'-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propyl]ethane-1,2-diamine?
The InChIKey is IGFCDFNWSSPOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F19N2O4/c1-7(18,13(27,28)38-6-5-37)39-14(29,30)8(2,19)40-15(31,32)9(3,20)41-16(33,34)10(4,21)42-17(35,36)11(22,23)12(24,25)26/h38H,5-6,37H2,1-4H3.
What are the key properties of N'-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propyl]ethane-1,2-diamine?
N'-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propyl]ethane-1,2-diamine has a molecular weight of 676.31 g/mol, XLogP of 6.51, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propyl]ethane-1,2-diamine is sourced from PubChem (CID 118006259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).