N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

C13H14F9NO — CID 4102295

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESO=C(NCCC1=CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H14F9NO/c14-10(15,11(16,17)12(18,19)13(20,21)22)9(24)23-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2,(H,23,24)
InChIKeyCFFBRULNLOUKBW-UHFFFAOYSA-N
MW371.24 g/mol
LogP4.46
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (PubChem CID 4102295) has the molecular formula C13H14F9NO and a molecular weight of 371.24 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
PubChem CID4102295
Molecular FormulaC13H14F9NO
Molecular Weight371.24 g/mol
Exact Mass371.09
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESO=C(NCCC1=CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H14F9NO/c14-10(15,11(16,17)12(18,19)13(20,21)22)9(24)23-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2,(H,23,24)
InChIKeyCFFBRULNLOUKBW-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-(cyclohexen-1-yl)ethyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (CID 4102295) is N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is O=C(NCCC1=CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The InChIKey is CFFBRULNLOUKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F9NO/c14-10(15,11(16,17)12(18,19)13(20,21)22)9(24)23-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2,(H,23,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide has a molecular weight of 371.24 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is sourced from PubChem (CID 4102295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).