N-(2,2,2-trifluoroethoxy)cycloheptanamine

C9H16F3NO — CID 82710886

IUPACN-(2,2,2-trifluoroethoxy)cycloheptanamine
SMILESFC(F)(F)CONC1CCCCCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-14-13-8-5-3-1-2-4-6-8/h8,13H,1-7H2
InChIKeyLZEJRKSKSXOUFW-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.79
Rot. Bonds3

About N-(2,2,2-trifluoroethoxy)cycloheptanamine

N-(2,2,2-trifluoroethoxy)cycloheptanamine (PubChem CID 82710886) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)cycloheptanamine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)cycloheptanamine
PubChem CID82710886
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-(2,2,2-trifluoroethoxy)cycloheptanamine
SMILESFC(F)(F)CONC1CCCCCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-14-13-8-5-3-1-2-4-6-8/h8,13H,1-7H2
InChIKeyLZEJRKSKSXOUFW-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)cycloheptanamine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)cycloheptanamine (CID 82710886) is N-(2,2,2-trifluoroethoxy)cycloheptanamine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)cycloheptanamine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)cycloheptanamine is FC(F)(F)CONC1CCCCCC1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)cycloheptanamine?
The InChIKey is LZEJRKSKSXOUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)7-14-13-8-5-3-1-2-4-6-8/h8,13H,1-7H2.
What are the key properties of N-(2,2,2-trifluoroethoxy)cycloheptanamine?
N-(2,2,2-trifluoroethoxy)cycloheptanamine has a molecular weight of 211.23 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)cycloheptanamine is sourced from PubChem (CID 82710886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).