1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine

C10H11ClF3NO — CID 82711336

IUPAC1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(NOCC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClF3NO/c1-7(15-16-6-10(12,13)14)8-2-4-9(11)5-3-8/h2-5,7,15H,6H2,1H3
InChIKeyPUOSPQSBJGQTGU-UHFFFAOYSA-N
MW253.65 g/mol
LogP3.48
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine

1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 82711336) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID82711336
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCC(NOCC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClF3NO/c1-7(15-16-6-10(12,13)14)8-2-4-9(11)5-3-8/h2-5,7,15H,6H2,1H3
InChIKeyPUOSPQSBJGQTGU-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.48
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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Related Compounds

(S)-(-)-1-(4-chlorophenyl)ethylamine
CID 1550852
1-(4-Chlorophenyl)ethylamine
CID 97803
(1R)-1-(4-chlorophenyl)ethan-1-amine
CID 1715226
1-(4-Chlorophenyl)propan-1-amine
CID 12622928
Hydroxylamine, N-(p-chloro-alpha-methylphenethyl)-, hydrochloride, (+-)
CID 3042987
1-(4-Chlorophenyl)-N-methoxypropan-2-amine--hydrogen chloride (1/1)
CID 24841286
1-(4-Chlorophenyl)-2-methylpropan-1-amine
CID 12559037
4-Chloro-alpha-propylbenzenemethanamine
CID 20221847
1-(4-Chloro-3-fluorophenyl)ethan-1-amine
CID 21934771
1-[4-Chloro-2-(trifluoromethyl)phenyl]ethan-1-amine
CID 22612971
1-(4-Chlorophenyl)-2,2,2-trifluoroethanamine
CID 24693275
(R)-1-(4-Chlorophenyl)-2,2,2-trifluoroethanamine
CID 28178665

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine (CID 82711336) is 1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine is CC(NOCC(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is PUOSPQSBJGQTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c1-7(15-16-6-10(12,13)14)8-2-4-9(11)5-3-8/h2-5,7,15H,6H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 253.65 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 82711336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).