2,2,3,3,4,4,5,5,7,7-decafluoro-N-(2-morpholin-4-ylethyl)heptanamide

C13H16F10N2O2 — CID 58855456

IUPAC2,2,3,3,4,4,5,5,7,7-decafluoro-N-(2-morpholin-4-ylethyl)heptanamide
SMILESO=C(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)F
InChIInChI=1S/C13H16F10N2O2/c14-8(15)7-10(16,17)12(20,21)13(22,23)11(18,19)9(26)24-1-2-25-3-5-27-6-4-25/h8H,1-7H2,(H,24,26)
InChIKeyCHXXVVMBYNFWRD-UHFFFAOYSA-N
MW422.26 g/mol
LogP2.63
Rot. Bonds9

About 2,2,3,3,4,4,5,5,7,7-decafluoro-N-(2-morpholin-4-ylethyl)heptanamide

2,2,3,3,4,4,5,5,7,7-decafluoro-N-(2-morpholin-4-ylethyl)heptanamide (PubChem CID 58855456) has the molecular formula C13H16F10N2O2 and a molecular weight of 422.26 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,7,7-decafluoro-N-(2-morpholin-4-ylethyl)heptanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,7,7-decafluoro-N-(2-morpholin-4-ylethyl)heptanamide
PubChem CID58855456
Molecular FormulaC13H16F10N2O2
Molecular Weight422.26 g/mol
Exact Mass422.11
IUPAC Name2,2,3,3,4,4,5,5,7,7-decafluoro-N-(2-morpholin-4-ylethyl)heptanamide
SMILESO=C(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)F
InChIInChI=1S/C13H16F10N2O2/c14-8(15)7-10(16,17)12(20,21)13(22,23)11(18,19)9(26)24-1-2-25-3-5-27-6-4-25/h8H,1-7H2,(H,24,26)
InChIKeyCHXXVVMBYNFWRD-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
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 2,2,3,3,4,4,5,5,7,7-decafluoro-N-(2-morpholin-4-ylethyl)heptanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,7,7-decafluoro-N-(2-morpholin-4-ylethyl)heptanamide (CID 58855456) is 2,2,3,3,4,4,5,5,7,7-decafluoro-N-(2-morpholin-4-ylethyl)heptanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,7,7-decafluoro-N-(2-morpholin-4-ylethyl)heptanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,7,7-decafluoro-N-(2-morpholin-4-ylethyl)heptanamide is O=C(NCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,7,7-decafluoro-N-(2-morpholin-4-ylethyl)heptanamide?
The InChIKey is CHXXVVMBYNFWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F10N2O2/c14-8(15)7-10(16,17)12(20,21)13(22,23)11(18,19)9(26)24-1-2-25-3-5-27-6-4-25/h8H,1-7H2,(H,24,26).
What are the key properties of 2,2,3,3,4,4,5,5,7,7-decafluoro-N-(2-morpholin-4-ylethyl)heptanamide?
2,2,3,3,4,4,5,5,7,7-decafluoro-N-(2-morpholin-4-ylethyl)heptanamide has a molecular weight of 422.26 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,7,7-decafluoro-N-(2-morpholin-4-ylethyl)heptanamide is sourced from PubChem (CID 58855456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).