2,2,3,3,3-pentafluoro-N-[4-(2,2,3,3,3-pentafluoropropanoylamino)butyl]propanamide

C10H10F10N2O2 — CID 600497

IUPAC2,2,3,3,3-pentafluoro-N-[4-(2,2,3,3,3-pentafluoropropanoylamino)butyl]propanamide
SMILESO=C(NCCCCNC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F10N2O2/c11-7(12,9(15,16)17)5(23)21-3-1-2-4-22-6(24)8(13,14)10(18,19)20/h1-4H2,(H,21,23)(H,22,24)
InChIKeyNHNAVGZKSGOWHJ-UHFFFAOYSA-N
MW380.18 g/mol
LogP2.39
Rot. Bonds7

About 2,2,3,3,3-pentafluoro-N-[4-(2,2,3,3,3-pentafluoropropanoylamino)butyl]propanamide

2,2,3,3,3-pentafluoro-N-[4-(2,2,3,3,3-pentafluoropropanoylamino)butyl]propanamide (PubChem CID 600497) has the molecular formula C10H10F10N2O2 and a molecular weight of 380.18 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[4-(2,2,3,3,3-pentafluoropropanoylamino)butyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[4-(2,2,3,3,3-pentafluoropropanoylamino)butyl]propanamide
PubChem CID600497
Molecular FormulaC10H10F10N2O2
Molecular Weight380.18 g/mol
Exact Mass380.06
IUPAC Name2,2,3,3,3-pentafluoro-N-[4-(2,2,3,3,3-pentafluoropropanoylamino)butyl]propanamide
SMILESO=C(NCCCCNC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F10N2O2/c11-7(12,9(15,16)17)5(23)21-3-1-2-4-22-6(24)8(13,14)10(18,19)20/h1-4H2,(H,21,23)(H,22,24)
InChIKeyNHNAVGZKSGOWHJ-UHFFFAOYSA-N
XLogP2.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.18
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-[4-(2,2,3,3,3-pentafluoropropanoylamino)butyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[4-(2,2,3,3,3-pentafluoropropanoylamino)butyl]propanamide (CID 600497) is 2,2,3,3,3-pentafluoro-N-[4-(2,2,3,3,3-pentafluoropropanoylamino)butyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[4-(2,2,3,3,3-pentafluoropropanoylamino)butyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[4-(2,2,3,3,3-pentafluoropropanoylamino)butyl]propanamide is O=C(NCCCCNC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[4-(2,2,3,3,3-pentafluoropropanoylamino)butyl]propanamide?
The InChIKey is NHNAVGZKSGOWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F10N2O2/c11-7(12,9(15,16)17)5(23)21-3-1-2-4-22-6(24)8(13,14)10(18,19)20/h1-4H2,(H,21,23)(H,22,24).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[4-(2,2,3,3,3-pentafluoropropanoylamino)butyl]propanamide?
2,2,3,3,3-pentafluoro-N-[4-(2,2,3,3,3-pentafluoropropanoylamino)butyl]propanamide has a molecular weight of 380.18 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[4-(2,2,3,3,3-pentafluoropropanoylamino)butyl]propanamide is sourced from PubChem (CID 600497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).