N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)acetamide

C7H7F8NO2 — CID 3099800

IUPACN-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)acetamide
SMILESCC(=O)NC(O)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H7F8NO2/c1-2(17)16-4(18)6(12,13)7(14,15)5(10,11)3(8)9/h3-4,18H,1H3,(H,16,17)
InChIKeyOYBMHXSDOBGNLV-UHFFFAOYSA-N
MW289.12 g/mol
LogP1.61
Rot. Bonds5

About N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)acetamide

N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)acetamide (PubChem CID 3099800) has the molecular formula C7H7F8NO2 and a molecular weight of 289.12 g/mol. Its IUPAC name is N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)acetamide.

Molecular Properties

Compound NameN-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)acetamide
PubChem CID3099800
Molecular FormulaC7H7F8NO2
Molecular Weight289.12 g/mol
Exact Mass289.03
IUPAC NameN-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)acetamide
SMILESCC(=O)NC(O)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H7F8NO2/c1-2(17)16-4(18)6(12,13)7(14,15)5(10,11)3(8)9/h3-4,18H,1H3,(H,16,17)
InChIKeyOYBMHXSDOBGNLV-UHFFFAOYSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)acetamide?
The IUPAC name of N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)acetamide (CID 3099800) is N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)acetamide.
What is the SMILES notation for N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)acetamide?
The canonical SMILES for N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)acetamide is CC(=O)NC(O)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)acetamide?
The InChIKey is OYBMHXSDOBGNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F8NO2/c1-2(17)16-4(18)6(12,13)7(14,15)5(10,11)3(8)9/h3-4,18H,1H3,(H,16,17).
What are the key properties of N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)acetamide?
N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)acetamide has a molecular weight of 289.12 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)acetamide is sourced from PubChem (CID 3099800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).