N-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-yloxypentanamide

C11H18F5NO2 — CID 161360683

IUPACN-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-yloxypentanamide
SMILESCC(C)OCCCCC(=O)NCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H18F5NO2/c1-8(2)19-6-4-3-5-9(18)17-7-10(12,13)11(14,15)16/h8H,3-7H2,1-2H3,(H,17,18)
InChIKeyXDQXUFPABPTIJK-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.90
Rot. Bonds8

About N-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-yloxypentanamide

N-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-yloxypentanamide (PubChem CID 161360683) has the molecular formula C11H18F5NO2 and a molecular weight of 291.26 g/mol. Its IUPAC name is N-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-yloxypentanamide.

Molecular Properties

Compound NameN-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-yloxypentanamide
PubChem CID161360683
Molecular FormulaC11H18F5NO2
Molecular Weight291.26 g/mol
Exact Mass291.13
IUPAC NameN-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-yloxypentanamide
SMILESCC(C)OCCCCC(=O)NCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H18F5NO2/c1-8(2)19-6-4-3-5-9(18)17-7-10(12,13)11(14,15)16/h8H,3-7H2,1-2H3,(H,17,18)
InChIKeyXDQXUFPABPTIJK-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-yloxypentanamide?
The IUPAC name of N-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-yloxypentanamide (CID 161360683) is N-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-yloxypentanamide.
What is the SMILES notation for N-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-yloxypentanamide?
The canonical SMILES for N-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-yloxypentanamide is CC(C)OCCCCC(=O)NCC(F)(F)C(F)(F)F.
What is the InChIKey of N-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-yloxypentanamide?
The InChIKey is XDQXUFPABPTIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F5NO2/c1-8(2)19-6-4-3-5-9(18)17-7-10(12,13)11(14,15)16/h8H,3-7H2,1-2H3,(H,17,18).
What are the key properties of N-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-yloxypentanamide?
N-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-yloxypentanamide has a molecular weight of 291.26 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3,3-pentafluoropropyl)-5-propan-2-yloxypentanamide is sourced from PubChem (CID 161360683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).