N'-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxyoctyl)propanediamide

C11H11F11N2O3 — CID 175304120

IUPACN'-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxyoctyl)propanediamide
SMILESNC(=O)CC(=O)NCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F11N2O3/c12-7(13,2-4(25)3-24-6(27)1-5(23)26)8(14,15)9(16,17)10(18,19)11(20,21)22/h4,25H,1-3H2,(H2,23,26)(H,24,27)
InChIKeyHAJQSWCVZMAEHT-UHFFFAOYSA-N
MW428.20 g/mol
LogP1.83
Rot. Bonds9

About N'-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxyoctyl)propanediamide

N'-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxyoctyl)propanediamide (PubChem CID 175304120) has the molecular formula C11H11F11N2O3 and a molecular weight of 428.20 g/mol. Its IUPAC name is N'-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxyoctyl)propanediamide.

Molecular Properties

Compound NameN'-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxyoctyl)propanediamide
PubChem CID175304120
Molecular FormulaC11H11F11N2O3
Molecular Weight428.20 g/mol
Exact Mass428.06
IUPAC NameN'-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxyoctyl)propanediamide
SMILESNC(=O)CC(=O)NCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F11N2O3/c12-7(13,2-4(25)3-24-6(27)1-5(23)26)8(14,15)9(16,17)10(18,19)11(20,21)22/h4,25H,1-3H2,(H2,23,26)(H,24,27)
InChIKeyHAJQSWCVZMAEHT-UHFFFAOYSA-N
XLogP1.83
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.20
LogP ≤ 51.83
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

N-[(2S,3R)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-1,3-dihydroxydodecan-2-yl]acetamide
CID 66573960
3-[bis(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxynonyl)amino]-N,N-diethylpropanamide
CID 135377136
2,2,3,3,4,4,4-heptafluoro-N-[8-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-6-hydroxyoctyl]butanamide
CID 168158642
2,2,3,3,4,4,4-heptafluoro-N-[11-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-6-hydroxyundecyl]butanamide
CID 168158647
N'-(4,4,5,5,6,6,7,7,7-nonafluoro-2-hydroxyheptyl)propanediamide
CID 175304090
N'-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-hydroxynonyl)propanediamide
CID 175304107
3-[(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-hydroxynonyl)amino]propanamide
CID 175304123
2,2,2-trifluoro-N-(2-hydroxyoctyl)acetamide
CID 85725032
2,2,3,3,3-pentafluoro-N-(2-hydroxycycloheptyl)propanamide
CID 108092801
2,2,3,3-tetrafluoro-N-(2-hydroxycycloheptyl)propanamide
CID 114032585

Frequently Asked Questions

What is the IUPAC name of N'-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxyoctyl)propanediamide?
The IUPAC name of N'-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxyoctyl)propanediamide (CID 175304120) is N'-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxyoctyl)propanediamide.
What is the SMILES notation for N'-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxyoctyl)propanediamide?
The canonical SMILES for N'-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxyoctyl)propanediamide is NC(=O)CC(=O)NCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N'-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxyoctyl)propanediamide?
The InChIKey is HAJQSWCVZMAEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F11N2O3/c12-7(13,2-4(25)3-24-6(27)1-5(23)26)8(14,15)9(16,17)10(18,19)11(20,21)22/h4,25H,1-3H2,(H2,23,26)(H,24,27).
What are the key properties of N'-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxyoctyl)propanediamide?
N'-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxyoctyl)propanediamide has a molecular weight of 428.20 g/mol, XLogP of 1.83, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-hydroxyoctyl)propanediamide is sourced from PubChem (CID 175304120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).