1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine

C11H11F6NO — CID 107523834

IUPAC1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine
SMILESNC(COCC(F)(F)C(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C11H11F6NO/c12-8-3-1-2-7(4-8)9(18)5-19-6-10(13,14)11(15,16)17/h1-4,9H,5-6,18H2
InChIKeyQVZXPCXLSMXBRJ-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.04
Rot. Bonds5

About 1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine

1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine (PubChem CID 107523834) has the molecular formula C11H11F6NO and a molecular weight of 287.20 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine
PubChem CID107523834
Molecular FormulaC11H11F6NO
Molecular Weight287.20 g/mol
Exact Mass287.07
IUPAC Name1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine
SMILESNC(COCC(F)(F)C(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C11H11F6NO/c12-8-3-1-2-7(4-8)9(18)5-19-6-10(13,14)11(15,16)17/h1-4,9H,5-6,18H2
InChIKeyQVZXPCXLSMXBRJ-UHFFFAOYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine
CID 107523915
1-(3-fluorophenyl)-2-methoxyethanamine
CID 45283501
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
1-(3-fluorophenyl)-2-heptoxyethanamine
CID 45282775
2-(2-fluorophenoxy)-1-(3-fluorophenyl)ethanamine
CID 18070424
(1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131500919
(1R)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131566007
(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
1-(3-fluorophenyl)-2-pyridin-3-yloxyethanamine
CID 117242787
2-(3-fluoro-4-methylphenoxy)-1-(3-fluorophenyl)ethanamine
CID 107524173

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine (CID 107523834) is 1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine is NC(COCC(F)(F)C(F)(F)F)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine?
The InChIKey is QVZXPCXLSMXBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NO/c12-8-3-1-2-7(4-8)9(18)5-19-6-10(13,14)11(15,16)17/h1-4,9H,5-6,18H2.
What are the key properties of 1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine?
1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine has a molecular weight of 287.20 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine is sourced from PubChem (CID 107523834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).