N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine

C14H25F4NO — CID 107009843

IUPACN-ethyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine
SMILESC=CCCCCCC(COCC(F)(F)C(F)F)NCC
InChIInChI=1S/C14H25F4NO/c1-3-5-6-7-8-9-12(19-4-2)10-20-11-14(17,18)13(15)16/h3,12-13,19H,1,4-11H2,2H3
InChIKeyIODXOEPQFASYFH-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.02
Rot. Bonds13

About N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine

N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine (PubChem CID 107009843) has the molecular formula C14H25F4NO and a molecular weight of 299.35 g/mol. Its IUPAC name is N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine
PubChem CID107009843
Molecular FormulaC14H25F4NO
Molecular Weight299.35 g/mol
Exact Mass299.19
IUPAC NameN-ethyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine
SMILESC=CCCCCCC(COCC(F)(F)C(F)F)NCC
InChIInChI=1S/C14H25F4NO/c1-3-5-6-7-8-9-12(19-4-2)10-20-11-14(17,18)13(15)16/h3,12-13,19H,1,4-11H2,2H3
InChIKeyIODXOEPQFASYFH-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine?
The IUPAC name of N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine (CID 107009843) is N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine.
What is the SMILES notation for N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine?
The canonical SMILES for N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine is C=CCCCCCC(COCC(F)(F)C(F)F)NCC.
What is the InChIKey of N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine?
The InChIKey is IODXOEPQFASYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F4NO/c1-3-5-6-7-8-9-12(19-4-2)10-20-11-14(17,18)13(15)16/h3,12-13,19H,1,4-11H2,2H3.
What are the key properties of N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine?
N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine has a molecular weight of 299.35 g/mol, XLogP of 4.02, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)non-8-en-2-amine is sourced from PubChem (CID 107009843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).