2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine

C9H16F3NO — CID 79114123

IUPAC2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine
SMILESC=CCCCOCCNCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-2-3-4-6-14-7-5-13-8-9(10,11)12/h2,13H,1,3-8H2
InChIKeyCQXDCXRZWPLJHP-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.12
Rot. Bonds8

About 2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine

2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine (PubChem CID 79114123) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine
PubChem CID79114123
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine
SMILESC=CCCCOCCNCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-2-3-4-6-14-7-5-13-8-9(10,11)12/h2,13H,1,3-8H2
InChIKeyCQXDCXRZWPLJHP-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.12
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine (CID 79114123) is 2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine is C=CCCCOCCNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine?
The InChIKey is CQXDCXRZWPLJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-2-3-4-6-14-7-5-13-8-9(10,11)12/h2,13H,1,3-8H2.
What are the key properties of 2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine?
2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine has a molecular weight of 211.23 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine is sourced from PubChem (CID 79114123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).