N-cyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

C11H12F9NO — CID 548955

IUPACN-cyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESO=C(NC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F9NO/c12-8(13,7(22)21-6-4-2-1-3-5-6)9(14,15)10(16,17)11(18,19)20/h6H,1-5H2,(H,21,22)
InChIKeyIXTQHUBEAGMFIL-UHFFFAOYSA-N
MW345.21 g/mol
LogP3.90
Rot. Bonds4

About N-cyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

N-cyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (PubChem CID 548955) has the molecular formula C11H12F9NO and a molecular weight of 345.21 g/mol. Its IUPAC name is N-cyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.

Molecular Properties

Compound NameN-cyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
PubChem CID548955
Molecular FormulaC11H12F9NO
Molecular Weight345.21 g/mol
Exact Mass345.08
IUPAC NameN-cyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESO=C(NC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F9NO/c12-8(13,7(22)21-6-4-2-1-3-5-6)9(14,15)10(16,17)11(18,19)20/h6H,1-5H2,(H,21,22)
InChIKeyIXTQHUBEAGMFIL-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 53.90
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-Butyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4196056
N-Cyclohexyl-2,2,2-trifluoroacetamide
CID 557702
2,2,3,3,4,4,4-Heptafluoro-N-hexylbutanamide
CID 540603
2,2,3,3,4,4,4-Heptafluoro-n-pentylbutanamide
CID 614724
N-(2-Butyl)heptafluorobutyramide
CID 617516
N-Cyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 1602640
N-Cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 3658277
N-Cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 4363307
N,N'-bis(Perfluorobutanoyl)1,6-hexanediamine
CID 4396391
2,2,3,3,4,4,4-heptafluoro-N-heptan-2-ylbutanamide
CID 4686073
Acetamide, N-cyclohexyl-2-fluoro-
CID 120745
Cambridge id 5567136
CID 2250861

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The IUPAC name of N-cyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (CID 548955) is N-cyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.
What is the SMILES notation for N-cyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The canonical SMILES for N-cyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is O=C(NC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-cyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The InChIKey is IXTQHUBEAGMFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F9NO/c12-8(13,7(22)21-6-4-2-1-3-5-6)9(14,15)10(16,17)11(18,19)20/h6H,1-5H2,(H,21,22).
What are the key properties of N-cyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
N-cyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide has a molecular weight of 345.21 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is sourced from PubChem (CID 548955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).