2-phenyl-N-(1,2,2-trifluoroethoxy)ethanamine

C10H12F3NO — CID 175501954

IUPAC2-phenyl-N-(1,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)C(F)ONCCc1ccccc1
InChIInChI=1S/C10H12F3NO/c11-9(12)10(13)15-14-7-6-8-4-2-1-3-5-8/h1-5,9-10,14H,6-7H2
InChIKeyKDNIRHMZPSETBB-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.31
Rot. Bonds6

About 2-phenyl-N-(1,2,2-trifluoroethoxy)ethanamine

2-phenyl-N-(1,2,2-trifluoroethoxy)ethanamine (PubChem CID 175501954) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-phenyl-N-(1,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name2-phenyl-N-(1,2,2-trifluoroethoxy)ethanamine
PubChem CID175501954
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-phenyl-N-(1,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)C(F)ONCCc1ccccc1
InChIInChI=1S/C10H12F3NO/c11-9(12)10(13)15-14-7-6-8-4-2-1-3-5-8/h1-5,9-10,14H,6-7H2
InChIKeyKDNIRHMZPSETBB-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phenethylamine, m-trifluoromethyl-
CID 104223
2-(2-Fluorophenyl)ethylamine
CID 643357
p-Fluorophenethylamine
CID 4653
2-(3-Fluorophenyl)ethanamine
CID 533928
2-[4-(Trifluoromethyl)phenyl]ethan-1-amine
CID 1988106
2-(Trifluoromethyl)phenethylamine
CID 69883
1-Hydroxylamino-2-phenylethane
CID 165091
1,1,1-Trifluoro-3-phenylpropan-2-amine
CID 3820972
2,2-Difluoro-2-phenylethylamine
CID 12635529
Methoxyphenylethylamine
CID 121190
2,4,5-Trifluorobenzeneethanamine
CID 44592369
Hydroxylamine, O-methyl-N-phenethyl-, hydrochloride
CID 121189

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 2-phenyl-N-(1,2,2-trifluoroethoxy)ethanamine (CID 175501954) is 2-phenyl-N-(1,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 2-phenyl-N-(1,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 2-phenyl-N-(1,2,2-trifluoroethoxy)ethanamine is FC(F)C(F)ONCCc1ccccc1.
What is the InChIKey of 2-phenyl-N-(1,2,2-trifluoroethoxy)ethanamine?
The InChIKey is KDNIRHMZPSETBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-9(12)10(13)15-14-7-6-8-4-2-1-3-5-8/h1-5,9-10,14H,6-7H2.
What are the key properties of 2-phenyl-N-(1,2,2-trifluoroethoxy)ethanamine?
2-phenyl-N-(1,2,2-trifluoroethoxy)ethanamine has a molecular weight of 219.21 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 175501954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).