2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine

C10H11F4NO — CID 3053563

IUPAC2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine
SMILESNCCc1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C10H11F4NO/c11-9(12)10(13,14)16-8-3-1-2-7(6-8)4-5-15/h1-3,6,9H,4-5,15H2
InChIKeyAHUZESLNGZAKTQ-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.42
Rot. Bonds5

About 2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine

2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine (PubChem CID 3053563) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is 2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine
PubChem CID3053563
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine
SMILESNCCc1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C10H11F4NO/c11-9(12)10(13,14)16-8-3-1-2-7(6-8)4-5-15/h1-3,6,9H,4-5,15H2
InChIKeyAHUZESLNGZAKTQ-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]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

[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
CID 18407225
2-[3-(difluoromethoxy)phenyl]ethanamine
CID 45091388
2-[3,5-bis(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
CID 3053564
1-heptyl-3-(1,1,2,2-tetrafluoroethoxy)benzene
CID 59545774
(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pentane-1,5-diamine
CID 171228173
2-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80693684
2,5-difluoro-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline
CID 11002165
1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene
CID 22508169
(2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol
CID 11955347
(1S)-2-fluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
CID 171208580
2-[3-(3,4-difluorophenoxy)phenyl]ethanamine
CID 63941961
(1S)-3,3,3-trifluoro-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine
CID 171228193

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine (CID 3053563) is 2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine is NCCc1cccc(OC(F)(F)C(F)F)c1.
What is the InChIKey of 2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine?
The InChIKey is AHUZESLNGZAKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO/c11-9(12)10(13,14)16-8-3-1-2-7(6-8)4-5-15/h1-3,6,9H,4-5,15H2.
What are the key properties of 2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine?
2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine has a molecular weight of 237.20 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine is sourced from PubChem (CID 3053563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).