8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide

C10H6ClF14NO2 — CID 3090460

IUPAC8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide
SMILESO=C(NCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C10H6ClF14NO2/c11-10(24,25)9(22,23)8(20,21)7(18,19)6(16,17)5(14,15)4(12,13)3(28)26-1-2-27/h27H,1-2H2,(H,26,28)
InChIKeyUEDWJSWTFWVYDY-UHFFFAOYSA-N
MW473.59 g/mol
LogP3.74
Rot. Bonds9

About 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide

8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide (PubChem CID 3090460) has the molecular formula C10H6ClF14NO2 and a molecular weight of 473.59 g/mol. Its IUPAC name is 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide.

Molecular Properties

Compound Name8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide
PubChem CID3090460
Molecular FormulaC10H6ClF14NO2
Molecular Weight473.59 g/mol
Exact Mass472.99
IUPAC Name8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide
SMILESO=C(NCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C10H6ClF14NO2/c11-10(24,25)9(22,23)8(20,21)7(18,19)6(16,17)5(14,15)4(12,13)3(28)26-1-2-27/h27H,1-2H2,(H,26,28)
InChIKeyUEDWJSWTFWVYDY-UHFFFAOYSA-N
XLogP3.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.59
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide with MolForge

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Related Compounds

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CID 3532120
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CID 5227176
9-chloro-N-dodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 3616620
11-chloro-N-decyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanamide
CID 4106217
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-undecylnonanamide
CID 3948802
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-hexylnonanamide
CID 3090456
2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide
CID 3834959
2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide
CID 648321
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)propyl]octanamide
CID 3746335
8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-methyloctanamide
CID 3450851
2,2,3,3,4,4,5,5,6,6,6-undecafluoro-N-[6-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoylamino)hexyl]hexanamide
CID 177421303
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[7-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoylamino)heptyl]nonanamide
CID 3089716

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide?
The IUPAC name of 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide (CID 3090460) is 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide.
What is the SMILES notation for 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide?
The canonical SMILES for 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide is O=C(NCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide?
The InChIKey is UEDWJSWTFWVYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF14NO2/c11-10(24,25)9(22,23)8(20,21)7(18,19)6(16,17)5(14,15)4(12,13)3(28)26-1-2-27/h27H,1-2H2,(H,26,28).
What are the key properties of 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide?
8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide has a molecular weight of 473.59 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide is sourced from PubChem (CID 3090460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).