N,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctanamide

C8H2F15NO — CID 57172355

IUPACN,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctanamide
SMILESO=C(NF)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H2F15NO/c9-1(10)3(11,12)5(15,16)7(19,20)8(21,22)6(17,18)4(13,14)2(25)24-23/h1H,(H,24,25)
InChIKeyZKZCULIHAPQCMV-UHFFFAOYSA-N
MW413.08 g/mol
LogP4.06
Rot. Bonds7

About N,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctanamide

N,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctanamide (PubChem CID 57172355) has the molecular formula C8H2F15NO and a molecular weight of 413.08 g/mol. Its IUPAC name is N,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctanamide.

Molecular Properties

Compound NameN,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctanamide
PubChem CID57172355
Molecular FormulaC8H2F15NO
Molecular Weight413.08 g/mol
Exact Mass412.99
IUPAC NameN,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctanamide
SMILESO=C(NF)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H2F15NO/c9-1(10)3(11,12)5(15,16)7(19,20)8(21,22)6(17,18)4(13,14)2(25)24-23/h1H,(H,24,25)
InChIKeyZKZCULIHAPQCMV-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.08
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctanamide?
The IUPAC name of N,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctanamide (CID 57172355) is N,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctanamide.
What is the SMILES notation for N,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctanamide?
The canonical SMILES for N,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctanamide is O=C(NF)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 N,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctanamide?
The InChIKey is ZKZCULIHAPQCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F15NO/c9-1(10)3(11,12)5(15,16)7(19,20)8(21,22)6(17,18)4(13,14)2(25)24-23/h1H,(H,24,25).
What are the key properties of N,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctanamide?
N,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctanamide has a molecular weight of 413.08 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,3,3,4,4,5,5,6,6,7,7,8,8-pentadecafluorooctanamide is sourced from PubChem (CID 57172355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).