N-cyclooctyl-2,2,3,3,3-pentafluoropropanamide

C11H16F5NO — CID 3360034

IUPACN-cyclooctyl-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(NC1CCCCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F5NO/c12-10(13,11(14,15)16)9(18)17-8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,17,18)
InChIKeyBPEPMYCITJAHTD-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.41
Rot. Bonds2

About N-cyclooctyl-2,2,3,3,3-pentafluoropropanamide

N-cyclooctyl-2,2,3,3,3-pentafluoropropanamide (PubChem CID 3360034) has the molecular formula C11H16F5NO and a molecular weight of 273.24 g/mol. Its IUPAC name is N-cyclooctyl-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-cyclooctyl-2,2,3,3,3-pentafluoropropanamide
PubChem CID3360034
Molecular FormulaC11H16F5NO
Molecular Weight273.24 g/mol
Exact Mass273.12
IUPAC NameN-cyclooctyl-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(NC1CCCCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F5NO/c12-10(13,11(14,15)16)9(18)17-8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,17,18)
InChIKeyBPEPMYCITJAHTD-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 573411
N,N'-dicyclopentyl-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 4201164
N-cyclododecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 19177836
4-chloro-N-cyclooctyl-2,2,3,3,4,4-hexafluorobutanamide
CID 4125332
2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide
CID 3089857
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
1-cyclododecyl-3-(trifluoromethyl)urea
CID 108865906
2-chloro-N-cyclohexyl-2-methylpropanamide
CID 70600650
1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 17387309
N-cyclopentyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310113
2-cyano-N-cyclopentyl-2-methylpropanamide
CID 60778685
1-cyclobutyl-3-cyclohexylurea
CID 17217147

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-cyclooctyl-2,2,3,3,3-pentafluoropropanamide (CID 3360034) is N-cyclooctyl-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-cyclooctyl-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-cyclooctyl-2,2,3,3,3-pentafluoropropanamide is O=C(NC1CCCCCCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of N-cyclooctyl-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is BPEPMYCITJAHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F5NO/c12-10(13,11(14,15)16)9(18)17-8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,17,18).
What are the key properties of N-cyclooctyl-2,2,3,3,3-pentafluoropropanamide?
N-cyclooctyl-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 273.24 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 3360034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).