N-(cyclobutylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

C9H16F3NO — CID 61490477

IUPACN-(cyclobutylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCC1CCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-14-5-4-13-6-8-2-1-3-8/h8,13H,1-7H2
InChIKeyZXVKYQOVLUIUSE-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.96
Rot. Bonds6

About N-(cyclobutylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine

N-(cyclobutylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 61490477) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID61490477
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-(cyclobutylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCC1CCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-14-5-4-13-6-8-2-1-3-8/h8,13H,1-7H2
InChIKeyZXVKYQOVLUIUSE-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.96
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-(cyclobutylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-(cyclobutylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 61490477) is N-(cyclobutylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-(cyclobutylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-(cyclobutylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is ZXVKYQOVLUIUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)7-14-5-4-13-6-8-2-1-3-8/h8,13H,1-7H2.
What are the key properties of N-(cyclobutylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-(cyclobutylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 211.23 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 61490477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).