N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide

C8H7F11N2O2 — CID 134694480

IUPACN-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
SMILESNCCNC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F11N2O2/c9-4(6(12,13)14,3(22)21-2-1-20)23-8(18,19)5(10,11)7(15,16)17/h1-2,20H2,(H,21,22)
InChIKeyQWKLSZPKPIMKSW-UHFFFAOYSA-N
MW372.13 g/mol
LogP2.10
Rot. Bonds6

About N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide

N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide (PubChem CID 134694480) has the molecular formula C8H7F11N2O2 and a molecular weight of 372.13 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
PubChem CID134694480
Molecular FormulaC8H7F11N2O2
Molecular Weight372.13 g/mol
Exact Mass372.03
IUPAC NameN-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
SMILESNCCNC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F11N2O2/c9-4(6(12,13)14,3(22)21-2-1-20)23-8(18,19)5(10,11)7(15,16)17/h1-2,20H2,(H,21,22)
InChIKeyQWKLSZPKPIMKSW-UHFFFAOYSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.13
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The IUPAC name of N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide (CID 134694480) is N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The canonical SMILES for N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide is NCCNC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The InChIKey is QWKLSZPKPIMKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F11N2O2/c9-4(6(12,13)14,3(22)21-2-1-20)23-8(18,19)5(10,11)7(15,16)17/h1-2,20H2,(H,21,22).
What are the key properties of N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide has a molecular weight of 372.13 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide is sourced from PubChem (CID 134694480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).