N-(2-cycloheptyloxyethyl)-2,2,2-trifluoroethanamine

C11H20F3NO — CID 62583847

IUPACN-(2-cycloheptyloxyethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCOC1CCCCCC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)9-15-7-8-16-10-5-3-1-2-4-6-10/h10,15H,1-9H2
InChIKeyIZVCHCFZLGXZBA-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds5

About N-(2-cycloheptyloxyethyl)-2,2,2-trifluoroethanamine

N-(2-cycloheptyloxyethyl)-2,2,2-trifluoroethanamine (PubChem CID 62583847) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(2-cycloheptyloxyethyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(2-cycloheptyloxyethyl)-2,2,2-trifluoroethanamine
PubChem CID62583847
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-(2-cycloheptyloxyethyl)-2,2,2-trifluoroethanamine
SMILESFC(F)(F)CNCCOC1CCCCCC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)9-15-7-8-16-10-5-3-1-2-4-6-10/h10,15H,1-9H2
InChIKeyIZVCHCFZLGXZBA-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cycloheptyloxyethyl)-2,2,2-trifluoroethanamine?
The IUPAC name of N-(2-cycloheptyloxyethyl)-2,2,2-trifluoroethanamine (CID 62583847) is N-(2-cycloheptyloxyethyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(2-cycloheptyloxyethyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(2-cycloheptyloxyethyl)-2,2,2-trifluoroethanamine is FC(F)(F)CNCCOC1CCCCCC1.
What is the InChIKey of N-(2-cycloheptyloxyethyl)-2,2,2-trifluoroethanamine?
The InChIKey is IZVCHCFZLGXZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)9-15-7-8-16-10-5-3-1-2-4-6-10/h10,15H,1-9H2.
What are the key properties of N-(2-cycloheptyloxyethyl)-2,2,2-trifluoroethanamine?
N-(2-cycloheptyloxyethyl)-2,2,2-trifluoroethanamine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloheptyloxyethyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 62583847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).