2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-morpholin-4-ylpropyl)nonanamide

C16H16F16N2O2 — CID 4149699

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-morpholin-4-ylpropyl)nonanamide
SMILESO=C(NCCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C16H16F16N2O2/c17-8(18)10(19,20)12(23,24)14(27,28)16(31,32)15(29,30)13(25,26)11(21,22)9(35)33-2-1-3-34-4-6-36-7-5-34/h8H,1-7H2,(H,33,35)
InChIKeyXVABDQKTNXBPKP-UHFFFAOYSA-N
MW572.28 g/mol
LogP4.54
Rot. Bonds12

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-morpholin-4-ylpropyl)nonanamide

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-morpholin-4-ylpropyl)nonanamide (PubChem CID 4149699) has the molecular formula C16H16F16N2O2 and a molecular weight of 572.28 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-morpholin-4-ylpropyl)nonanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-morpholin-4-ylpropyl)nonanamide
PubChem CID4149699
Molecular FormulaC16H16F16N2O2
Molecular Weight572.28 g/mol
Exact Mass572.10
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-morpholin-4-ylpropyl)nonanamide
SMILESO=C(NCCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C16H16F16N2O2/c17-8(18)10(19,20)12(23,24)14(27,28)16(31,32)15(29,30)13(25,26)11(21,22)9(35)33-2-1-3-34-4-6-36-7-5-34/h8H,1-7H2,(H,33,35)
InChIKeyXVABDQKTNXBPKP-UHFFFAOYSA-N
XLogP4.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.28
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-morpholin-4-ylpropyl)nonanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,3,3,4,4,5,5,7,7,7-undecafluoro-N-(2-morpholin-4-ylethyl)heptanamide
CID 58855436
2,2,3,3,4,4,5,5,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-morpholin-4-ylethyl)decanamide
CID 58855463
2,2,3,3,4,4,5,5-octafluoro-N-(3-hydroxypropyl)pentanamide
CID 4047638
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
3,3-dimethyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 2225348
(2R)-2,3-dichloro-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 7375440
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
2,2-dimethyl-N'-(3-morpholin-4-ylpropyl)butanediamide
CID 173284706
2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide
CID 3533686
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-morpholin-4-ylpropyl)nonanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-morpholin-4-ylpropyl)nonanamide (CID 4149699) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-morpholin-4-ylpropyl)nonanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-morpholin-4-ylpropyl)nonanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-morpholin-4-ylpropyl)nonanamide is O=C(NCCCN1CCOCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-morpholin-4-ylpropyl)nonanamide?
The InChIKey is XVABDQKTNXBPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F16N2O2/c17-8(18)10(19,20)12(23,24)14(27,28)16(31,32)15(29,30)13(25,26)11(21,22)9(35)33-2-1-3-34-4-6-36-7-5-34/h8H,1-7H2,(H,33,35).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-morpholin-4-ylpropyl)nonanamide?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-morpholin-4-ylpropyl)nonanamide has a molecular weight of 572.28 g/mol, XLogP of 4.54, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-morpholin-4-ylpropyl)nonanamide is sourced from PubChem (CID 4149699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).