2,2,3,3,3-pentafluoro-N-[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide

C9H8F10N2O3 — CID 2851781

IUPAC2,2,3,3,3-pentafluoro-N-[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide
SMILESO=C(NCC(O)CNC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F10N2O3/c10-6(11,8(14,15)16)4(23)20-1-3(22)2-21-5(24)7(12,13)9(17,18)19/h3,22H,1-2H2,(H,20,23)(H,21,24)
InChIKeyOOUOVHMFRJFTLE-UHFFFAOYSA-N
MW382.15 g/mol
LogP0.97
Rot. Bonds6

About 2,2,3,3,3-pentafluoro-N-[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide

2,2,3,3,3-pentafluoro-N-[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide (PubChem CID 2851781) has the molecular formula C9H8F10N2O3 and a molecular weight of 382.15 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide
PubChem CID2851781
Molecular FormulaC9H8F10N2O3
Molecular Weight382.15 g/mol
Exact Mass382.04
IUPAC Name2,2,3,3,3-pentafluoro-N-[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide
SMILESO=C(NCC(O)CNC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F10N2O3/c10-6(11,8(14,15)16)4(23)20-1-3(22)2-21-5(24)7(12,13)9(17,18)19/h3,22H,1-2H2,(H,20,23)(H,21,24)
InChIKeyOOUOVHMFRJFTLE-UHFFFAOYSA-N
XLogP0.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.15
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trichloro-N-[2-hydroxy-3-[(2,2,2-trichloroacetyl)amino]propyl]acetamide
CID 10937789
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CID 4123450
2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide
CID 4147050
2,2,3,3,3-pentafluoro-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
CID 106433423
2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxy-2-phenylethyl)butanamide
CID 3253809
2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 114129313
[1-(4-hydroxyphenyl)-2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl] 2,2,3,3,3-pentafluoropropanoate
CID 88522903
2,2,2-trifluoro-N-(4-hydroxy-2-methylpentyl)acetamide
CID 130901653
N-(4-aminobutyl)-2,2,3,3,3-pentafluoropropanamide;hydrochloride
CID 140860233
2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 114093542
3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 164555722
[2-[2-(2,2,3,3,3-pentafluoropropanoylamino)-1-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl]phenyl] 2,2,3,3,3-pentafluoropropanoate
CID 600575

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide (CID 2851781) is 2,2,3,3,3-pentafluoro-N-[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide is O=C(NCC(O)CNC(=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-[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide?
The InChIKey is OOUOVHMFRJFTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F10N2O3/c10-6(11,8(14,15)16)4(23)20-1-3(22)2-21-5(24)7(12,13)9(17,18)19/h3,22H,1-2H2,(H,20,23)(H,21,24).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide?
2,2,3,3,3-pentafluoro-N-[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide has a molecular weight of 382.15 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[2-hydroxy-3-(2,2,3,3,3-pentafluoropropanoylamino)propyl]propanamide is sourced from PubChem (CID 2851781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).