2-hydroxy-2-methyl-N'-(3,3,4,4,4-pentafluorobutyl)propanediamide

C8H11F5N2O3 — CID 143546222

IUPAC2-hydroxy-2-methyl-N'-(3,3,4,4,4-pentafluorobutyl)propanediamide
SMILESCC(O)(C(N)=O)C(=O)NCCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F5N2O3/c1-6(18,4(14)16)5(17)15-3-2-7(9,10)8(11,12)13/h18H,2-3H2,1H3,(H2,14,16)(H,15,17)
InChIKeyXOEVWFMTJBEILO-UHFFFAOYSA-N
MW278.18 g/mol
LogP-0.07
Rot. Bonds5

About 2-hydroxy-2-methyl-N'-(3,3,4,4,4-pentafluorobutyl)propanediamide

2-hydroxy-2-methyl-N'-(3,3,4,4,4-pentafluorobutyl)propanediamide (PubChem CID 143546222) has the molecular formula C8H11F5N2O3 and a molecular weight of 278.18 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N'-(3,3,4,4,4-pentafluorobutyl)propanediamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N'-(3,3,4,4,4-pentafluorobutyl)propanediamide
PubChem CID143546222
Molecular FormulaC8H11F5N2O3
Molecular Weight278.18 g/mol
Exact Mass278.07
IUPAC Name2-hydroxy-2-methyl-N'-(3,3,4,4,4-pentafluorobutyl)propanediamide
SMILESCC(O)(C(N)=O)C(=O)NCCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F5N2O3/c1-6(18,4(14)16)5(17)15-3-2-7(9,10)8(11,12)13/h18H,2-3H2,1H3,(H2,14,16)(H,15,17)
InChIKeyXOEVWFMTJBEILO-UHFFFAOYSA-N
XLogP-0.07
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-hydroxy-2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide
CID 87260139
ethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate
CID 87121782
2-amino-2-methyl-N-(3,3,3-trifluoropropyl)propanamide
CID 63226651
2-methyl-3-oxo-3-(3,3,4,4,4-pentafluorobutylamino)propanoic acid
CID 21072497
ethyl 2-hydroxy-2-methyl-3-oxo-3-(2,2,3,3,3-pentafluoropropylamino)propanoate
CID 86605288
2-amino-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79789702
ethane;3,3,4,4,4-pentafluorobutylhydrazine
CID 144862694
ethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate;2-methylprop-2-enoic acid
CID 87121781
1,3-bis(3-amino-3-methylbutyl)urea
CID 57132774
N-(4-ethoxy-3-hydroxy-3-methylbutyl)-2,2,2-trifluoroacetamide
CID 58593343
N-(3,3,4,4,5,5,5-heptafluoropentyl)-2-methylbutanamide
CID 21049854
2-amino-3,3,3-trifluoro-2-methyl-N-pentylpropanamide
CID 79796676

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-N'-(3,3,4,4,4-pentafluorobutyl)propanediamide?
The IUPAC name of 2-hydroxy-2-methyl-N'-(3,3,4,4,4-pentafluorobutyl)propanediamide (CID 143546222) is 2-hydroxy-2-methyl-N'-(3,3,4,4,4-pentafluorobutyl)propanediamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N'-(3,3,4,4,4-pentafluorobutyl)propanediamide?
The canonical SMILES for 2-hydroxy-2-methyl-N'-(3,3,4,4,4-pentafluorobutyl)propanediamide is CC(O)(C(N)=O)C(=O)NCCC(F)(F)C(F)(F)F.
What is the InChIKey of 2-hydroxy-2-methyl-N'-(3,3,4,4,4-pentafluorobutyl)propanediamide?
The InChIKey is XOEVWFMTJBEILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5N2O3/c1-6(18,4(14)16)5(17)15-3-2-7(9,10)8(11,12)13/h18H,2-3H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-hydroxy-2-methyl-N'-(3,3,4,4,4-pentafluorobutyl)propanediamide?
2-hydroxy-2-methyl-N'-(3,3,4,4,4-pentafluorobutyl)propanediamide has a molecular weight of 278.18 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N'-(3,3,4,4,4-pentafluorobutyl)propanediamide is sourced from PubChem (CID 143546222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).