6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide

C9H8ClF10NO2 — CID 3532120

IUPAC6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide
SMILESO=C(NCCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C9H8ClF10NO2/c10-9(19,20)8(17,18)7(15,16)6(13,14)5(11,12)4(23)21-2-1-3-22/h22H,1-3H2,(H,21,23)
InChIKeyGRXLVLWKOLWGQA-UHFFFAOYSA-N
MW387.60 g/mol
LogP2.86
Rot. Bonds8

About 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide

6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide (PubChem CID 3532120) has the molecular formula C9H8ClF10NO2 and a molecular weight of 387.60 g/mol. Its IUPAC name is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide.

Molecular Properties

Compound Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide
PubChem CID3532120
Molecular FormulaC9H8ClF10NO2
Molecular Weight387.60 g/mol
Exact Mass387.01
IUPAC Name6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide
SMILESO=C(NCCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C9H8ClF10NO2/c10-9(19,20)8(17,18)7(15,16)6(13,14)5(11,12)4(23)21-2-1-3-22/h22H,1-3H2,(H,21,23)
InChIKeyGRXLVLWKOLWGQA-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.60
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-(2-hydroxyethyl)octanamide
CID 3090460
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-undecylnonanamide
CID 3948802
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-N-dodecyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 3616620
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-hexylnonanamide
CID 3090456
2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide
CID 648321
2,2,3,3,4,4,5,5-octafluoro-N-(3-hydroxypropyl)pentanamide
CID 4047638
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-(3-methylbutyl)octanamide
CID 5227176
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
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
N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 163324662

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide?
The IUPAC name of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide (CID 3532120) is 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide.
What is the SMILES notation for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide?
The canonical SMILES for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide is O=C(NCCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide?
The InChIKey is GRXLVLWKOLWGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF10NO2/c10-9(19,20)8(17,18)7(15,16)6(13,14)5(11,12)4(23)21-2-1-3-22/h22H,1-3H2,(H,21,23).
What are the key properties of 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide?
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide has a molecular weight of 387.60 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide is sourced from PubChem (CID 3532120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).