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

C14H10F21IN2O2 — CID 162593132

IUPACN-[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
SMILESFC(F)(F)C(F)(CNCCNCC(F)(OC(F)(I)C(F)(F)C(F)(F)F)C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H10F21IN2O2/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
InChIKeyQDJUYWLKFYYNEP-UHFFFAOYSA-N
MW764.11 g/mol
LogP6.70
Rot. Bonds13

About 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

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 (PubChem CID 162593132) has the molecular formula C14H10F21IN2O2 and a molecular weight of 764.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID162593132
Molecular FormulaC14H10F21IN2O2
Molecular Weight764.11 g/mol
Exact Mass763.95
IUPAC NameN-[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
SMILESFC(F)(F)C(F)(CNCCNCC(F)(OC(F)(I)C(F)(F)C(F)(F)F)C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H10F21IN2O2/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
InChIKeyQDJUYWLKFYYNEP-UHFFFAOYSA-N
XLogP6.70
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.11
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)C(F)(CNCCNCC(F)(OC(F)(I)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-[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?
The InChIKey is QDJUYWLKFYYNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F21IN2O2/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-[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?
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 has a molecular weight of 764.11 g/mol, XLogP of 6.70, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162593132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).