1-(cycloocten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C15H25F4NO — CID 106654848

IUPAC1-(cycloocten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCNC(COCC(F)(F)C(F)F)C1=CCCCCCC1
InChIInChI=1S/C15H25F4NO/c1-2-20-13(10-21-11-15(18,19)14(16)17)12-8-6-4-3-5-7-9-12/h8,13-14,20H,2-7,9-11H2,1H3
InChIKeyNAPGPQVAZSWVMR-UHFFFAOYSA-N
MW311.36 g/mol
LogP4.16
Rot. Bonds8

About 1-(cycloocten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

1-(cycloocten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 106654848) has the molecular formula C15H25F4NO and a molecular weight of 311.36 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID106654848
Molecular FormulaC15H25F4NO
Molecular Weight311.36 g/mol
Exact Mass311.19
IUPAC Name1-(cycloocten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCNC(COCC(F)(F)C(F)F)C1=CCCCCCC1
InChIInChI=1S/C15H25F4NO/c1-2-20-13(10-21-11-15(18,19)14(16)17)12-8-6-4-3-5-7-9-12/h8,13-14,20H,2-7,9-11H2,1H3
InChIKeyNAPGPQVAZSWVMR-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(cycloocten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of 1-(cycloocten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 106654848) is 1-(cycloocten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(cycloocten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for 1-(cycloocten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CCNC(COCC(F)(F)C(F)F)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is NAPGPQVAZSWVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F4NO/c1-2-20-13(10-21-11-15(18,19)14(16)17)12-8-6-4-3-5-7-9-12/h8,13-14,20H,2-7,9-11H2,1H3.
What are the key properties of 1-(cycloocten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
1-(cycloocten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 311.36 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 106654848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).