N-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide

C12H16F7NO — CID 573411

IUPACN-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C(NC1CCCCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H16F7NO/c13-10(14,11(15,16)12(17,18)19)9(21)20-8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,20,21)
InChIKeySTFNIQCRBWVNAZ-UHFFFAOYSA-N
MW323.25 g/mol
LogP4.05
Rot. Bonds3

About N-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide

N-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 573411) has the molecular formula C12H16F7NO and a molecular weight of 323.25 g/mol. Its IUPAC name is N-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID573411
Molecular FormulaC12H16F7NO
Molecular Weight323.25 g/mol
Exact Mass323.11
IUPAC NameN-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C(NC1CCCCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H16F7NO/c13-10(14,11(15,16)12(17,18)19)9(21)20-8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,20,21)
InChIKeySTFNIQCRBWVNAZ-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 54.05
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-cyclododecyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 19177836
N,N'-dicyclopentyl-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 4201164
2,2,3,3,4,4,4-heptafluoro-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)cyclohexyl]butanamide
CID 3089857
N-cyclooctyl-2,2,3,3,3-pentafluoropropanamide
CID 3360034
4-chloro-N-cyclooctyl-2,2,3,3,4,4-hexafluorobutanamide
CID 4125332
2,2,3,3,4,4,4-heptafluoro-N-[(1S,2R)-2-hydroxycyclohexyl]butanamide
CID 40538968
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
N-[(1R,2R)-2-(butanoylamino)cyclohexyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 177402658
2,2,3,3,4,4,4-heptafluoro-N-(2-oxoazepan-3-yl)butanamide
CID 122206979
N-cyclopropyl-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanamide
CID 3089677
1-cyclododecyl-3-(trifluoromethyl)urea
CID 108865906
2-chloro-N-cyclohexyl-2-methylpropanamide
CID 70600650

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide (CID 573411) is N-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide is O=C(NC1CCCCCCC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is STFNIQCRBWVNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F7NO/c13-10(14,11(15,16)12(17,18)19)9(21)20-8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,20,21).
What are the key properties of N-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide?
N-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 323.25 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 573411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).