2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine

C12H15F4NO2 — CID 106292101

IUPAC2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
SMILESCOc1ccc(OCCNCC(F)(F)C(F)F)cc1
InChIInChI=1S/C12H15F4NO2/c1-18-9-2-4-10(5-3-9)19-7-6-17-8-12(15,16)11(13)14/h2-5,11,17H,6-8H2,1H3
InChIKeyUUWLRBLGTVSGFV-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.56
Rot. Bonds8

About 2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine

2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine (PubChem CID 106292101) has the molecular formula C12H15F4NO2 and a molecular weight of 281.25 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
PubChem CID106292101
Molecular FormulaC12H15F4NO2
Molecular Weight281.25 g/mol
Exact Mass281.10
IUPAC Name2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
SMILESCOc1ccc(OCCNCC(F)(F)C(F)F)cc1
InChIInChI=1S/C12H15F4NO2/c1-18-9-2-4-10(5-3-9)19-7-6-17-8-12(15,16)11(13)14/h2-5,11,17H,6-8H2,1H3
InChIKeyUUWLRBLGTVSGFV-UHFFFAOYSA-N
XLogP2.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoro-N-(2-phenoxyethyl)propan-1-amine
CID 114169263
2,2-difluoro-3-[2-(4-methoxyphenoxy)ethylamino]propan-1-ol
CID 106176853
1-[2-(4-methoxyphenoxy)ethylamino]-2-methylpropane-2-thiol
CID 13049074
5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpentan-1-amine
CID 106141180
2,2,3,3-tetrafluoro-N-[[4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 106289896
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
N-[(3,5-dimethoxyphenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529436
N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine
CID 83960627
1-methoxy-4-(2,2,3,3-tetrafluoropropyl)benzene
CID 132937165
3-iodo-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 114503775
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60686611

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine (CID 106292101) is 2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine is COc1ccc(OCCNCC(F)(F)C(F)F)cc1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine?
The InChIKey is UUWLRBLGTVSGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO2/c1-18-9-2-4-10(5-3-9)19-7-6-17-8-12(15,16)11(13)14/h2-5,11,17H,6-8H2,1H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine?
2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine has a molecular weight of 281.25 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 106292101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).