N-(1-ethoxy-2,2,2-trifluoroethyl)cyclododecanamine

C16H30F3NO — CID 71228220

IUPACN-(1-ethoxy-2,2,2-trifluoroethyl)cyclododecanamine
SMILESCCOC(NC1CCCCCCCCCCC1)C(F)(F)F
InChIInChI=1S/C16H30F3NO/c1-2-21-15(16(17,18)19)20-14-12-10-8-6-4-3-5-7-9-11-13-14/h14-15,20H,2-13H2,1H3
InChIKeyHRLXUYQJZIQDTP-UHFFFAOYSA-N
MW309.42 g/mol
LogP5.17
Rot. Bonds4

About N-(1-ethoxy-2,2,2-trifluoroethyl)cyclododecanamine

N-(1-ethoxy-2,2,2-trifluoroethyl)cyclododecanamine (PubChem CID 71228220) has the molecular formula C16H30F3NO and a molecular weight of 309.42 g/mol. Its IUPAC name is N-(1-ethoxy-2,2,2-trifluoroethyl)cyclododecanamine.

Molecular Properties

Compound NameN-(1-ethoxy-2,2,2-trifluoroethyl)cyclododecanamine
PubChem CID71228220
Molecular FormulaC16H30F3NO
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC NameN-(1-ethoxy-2,2,2-trifluoroethyl)cyclododecanamine
SMILESCCOC(NC1CCCCCCCCCCC1)C(F)(F)F
InChIInChI=1S/C16H30F3NO/c1-2-21-15(16(17,18)19)20-14-12-10-8-6-4-3-5-7-9-11-13-14/h14-15,20H,2-13H2,1H3
InChIKeyHRLXUYQJZIQDTP-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.42
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-2,2,2-trifluoroethyl)cyclododecanamine?
The IUPAC name of N-(1-ethoxy-2,2,2-trifluoroethyl)cyclododecanamine (CID 71228220) is N-(1-ethoxy-2,2,2-trifluoroethyl)cyclododecanamine.
What is the SMILES notation for N-(1-ethoxy-2,2,2-trifluoroethyl)cyclododecanamine?
The canonical SMILES for N-(1-ethoxy-2,2,2-trifluoroethyl)cyclododecanamine is CCOC(NC1CCCCCCCCCCC1)C(F)(F)F.
What is the InChIKey of N-(1-ethoxy-2,2,2-trifluoroethyl)cyclododecanamine?
The InChIKey is HRLXUYQJZIQDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3NO/c1-2-21-15(16(17,18)19)20-14-12-10-8-6-4-3-5-7-9-11-13-14/h14-15,20H,2-13H2,1H3.
What are the key properties of N-(1-ethoxy-2,2,2-trifluoroethyl)cyclododecanamine?
N-(1-ethoxy-2,2,2-trifluoroethyl)cyclododecanamine has a molecular weight of 309.42 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-2,2,2-trifluoroethyl)cyclododecanamine is sourced from PubChem (CID 71228220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).