2,2,3,3,4,4,5,5-octafluoro-N-(3-hydroxypropyl)pentanamide

C8H9F8NO2 — CID 4047638

IUPAC2,2,3,3,4,4,5,5-octafluoro-N-(3-hydroxypropyl)pentanamide
SMILESO=C(NCCCO)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H9F8NO2/c9-4(10)6(11,12)8(15,16)7(13,14)5(19)17-2-1-3-18/h4,18H,1-3H2,(H,17,19)
InChIKeyIRRRMIPQWYJVLV-UHFFFAOYSA-N
MW303.15 g/mol
LogP1.66
Rot. Bonds7

About 2,2,3,3,4,4,5,5-octafluoro-N-(3-hydroxypropyl)pentanamide

2,2,3,3,4,4,5,5-octafluoro-N-(3-hydroxypropyl)pentanamide (PubChem CID 4047638) has the molecular formula C8H9F8NO2 and a molecular weight of 303.15 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-N-(3-hydroxypropyl)pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-N-(3-hydroxypropyl)pentanamide
PubChem CID4047638
Molecular FormulaC8H9F8NO2
Molecular Weight303.15 g/mol
Exact Mass303.05
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-N-(3-hydroxypropyl)pentanamide
SMILESO=C(NCCCO)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H9F8NO2/c9-4(10)6(11,12)8(15,16)7(13,14)5(19)17-2-1-3-18/h4,18H,1-3H2,(H,17,19)
InChIKeyIRRRMIPQWYJVLV-UHFFFAOYSA-N
XLogP1.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4-hexafluoro-N,N'-bis(4-hydroxybutyl)pentanediamide
CID 648321
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(3-hydroxypropyl)hexanamide
CID 3532120
2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide
CID 107168274
2,2,3,3,4,4-hexafluoro-N-octadecylbutanamide
CID 4674729
2,2,3,3,4,4,4-heptafluoro-N-[7-(2,2,3,3,4,4,4-heptafluorobutanoylamino)heptyl]butanamide
CID 3089717
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-morpholin-4-ylpropyl)nonanamide
CID 4149699
sodium 2,6-bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoylamino)hexanoate
CID 146051291
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
2,2,3,3,4,4,5,5-octafluoro-N-(2-hydroxyethyl)pentanethioamide
CID 6425964
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
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 2,2,3,3,4,4,5,5-octafluoro-N-(3-hydroxypropyl)pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N-(3-hydroxypropyl)pentanamide (CID 4047638) is 2,2,3,3,4,4,5,5-octafluoro-N-(3-hydroxypropyl)pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-N-(3-hydroxypropyl)pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-N-(3-hydroxypropyl)pentanamide is O=C(NCCCO)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-N-(3-hydroxypropyl)pentanamide?
The InChIKey is IRRRMIPQWYJVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F8NO2/c9-4(10)6(11,12)8(15,16)7(13,14)5(19)17-2-1-3-18/h4,18H,1-3H2,(H,17,19).
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-N-(3-hydroxypropyl)pentanamide?
2,2,3,3,4,4,5,5-octafluoro-N-(3-hydroxypropyl)pentanamide has a molecular weight of 303.15 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-N-(3-hydroxypropyl)pentanamide is sourced from PubChem (CID 4047638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).