N,N'-bis[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]ethane-1,2-diamine

C14H10F22N2O2 — CID 118344747

IUPACN,N'-bis[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]ethane-1,2-diamine
SMILESFC(F)(F)C(F)(CNCCNCC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H10F22N2O2/c15-5(9(21,22)23,39-13(33,34)7(17,18)11(27,28)29)3-37-1-2-38-4-6(16,10(24,25)26)40-14(35,36)8(19,20)12(30,31)32/h37-38H,1-4H2
InChIKeyWGLCKXNVJDFAMV-UHFFFAOYSA-N
MW656.20 g/mol
LogP6.24
Rot. Bonds13

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

N,N'-bis[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]ethane-1,2-diamine (PubChem CID 118344747) has the molecular formula C14H10F22N2O2 and a molecular weight of 656.20 g/mol. Its IUPAC name is N,N'-bis[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]ethane-1,2-diamine
PubChem CID118344747
Molecular FormulaC14H10F22N2O2
Molecular Weight656.20 g/mol
Exact Mass656.04
IUPAC NameN,N'-bis[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]ethane-1,2-diamine
SMILESFC(F)(F)C(F)(CNCCNCC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H10F22N2O2/c15-5(9(21,22)23,39-13(33,34)7(17,18)11(27,28)29)3-37-1-2-38-4-6(16,10(24,25)26)40-14(35,36)8(19,20)12(30,31)32/h37-38H,1-4H2
InChIKeyWGLCKXNVJDFAMV-UHFFFAOYSA-N
XLogP6.24
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.20
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylpropan-1-amine
CID 118346576
N'-[2-(1,1-difluoropropoxy)-2,3,3,3-tetrafluoropropyl]butane-1,4-diamine
CID 161273519
N-(2-methoxyethyl)-N'-(2,2,3,3,3-pentafluoropropyl)ethane-1,2-diamine
CID 104379596
N-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]-N'-[2,3,3,3-tetrafluoro-2-(1,2,2,3,3,3-hexafluoro-1-iodopropoxy)propyl]ethane-1,2-diamine
CID 162593132

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]ethane-1,2-diamine (CID 118344747) is N,N'-bis[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]ethane-1,2-diamine is FC(F)(F)C(F)(CNCCNCC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N'-bis[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]ethane-1,2-diamine?
The InChIKey is WGLCKXNVJDFAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F22N2O2/c15-5(9(21,22)23,39-13(33,34)7(17,18)11(27,28)29)3-37-1-2-38-4-6(16,10(24,25)26)40-14(35,36)8(19,20)12(30,31)32/h37-38H,1-4H2.
What are the key properties of N,N'-bis[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]ethane-1,2-diamine?
N,N'-bis[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]ethane-1,2-diamine has a molecular weight of 656.20 g/mol, XLogP of 6.24, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]ethane-1,2-diamine is sourced from PubChem (CID 118344747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).