N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]-N-pentylpentan-1-amine

C15H28F5NO — CID 59383789

IUPACN-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]-N-pentylpentan-1-amine
SMILESCCCCCN(CCCCC)CCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C15H28F5NO/c1-3-5-7-9-21(10-8-6-4-2)11-12-22-13-14(16,17)15(18,19)20/h3-13H2,1-2H3
InChIKeyBQXMPDAEKZSAGW-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.88
Rot. Bonds13

About N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]-N-pentylpentan-1-amine

N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]-N-pentylpentan-1-amine (PubChem CID 59383789) has the molecular formula C15H28F5NO and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]-N-pentylpentan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]-N-pentylpentan-1-amine
PubChem CID59383789
Molecular FormulaC15H28F5NO
Molecular Weight333.39 g/mol
Exact Mass333.21
IUPAC NameN-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]-N-pentylpentan-1-amine
SMILESCCCCCN(CCCCC)CCOCC(F)(F)C(F)(F)F
InChIInChI=1S/C15H28F5NO/c1-3-5-7-9-21(10-8-6-4-2)11-12-22-13-14(16,17)15(18,19)20/h3-13H2,1-2H3
InChIKeyBQXMPDAEKZSAGW-UHFFFAOYSA-N
XLogP4.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.88
H-Bond Donors ≤ 50
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-(2,2,3,3,3-pentafluoropropoxy)ethyl]-N-pentylpentan-1-amine?
The IUPAC name of N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]-N-pentylpentan-1-amine (CID 59383789) is N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]-N-pentylpentan-1-amine.
What is the SMILES notation for N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]-N-pentylpentan-1-amine?
The canonical SMILES for N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]-N-pentylpentan-1-amine is CCCCCN(CCCCC)CCOCC(F)(F)C(F)(F)F.
What is the InChIKey of N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]-N-pentylpentan-1-amine?
The InChIKey is BQXMPDAEKZSAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F5NO/c1-3-5-7-9-21(10-8-6-4-2)11-12-22-13-14(16,17)15(18,19)20/h3-13H2,1-2H3.
What are the key properties of N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]-N-pentylpentan-1-amine?
N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]-N-pentylpentan-1-amine has a molecular weight of 333.39 g/mol, XLogP of 4.88, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]-N-pentylpentan-1-amine is sourced from PubChem (CID 59383789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).