2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine

C11H12F5NO — CID 106291983

IUPAC2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
SMILESCOc1cccc(CNCC(F)(F)C(F)F)c1F
InChIInChI=1S/C11H12F5NO/c1-18-8-4-2-3-7(9(8)12)5-17-6-11(15,16)10(13)14/h2-4,10,17H,5-6H2,1H3
InChIKeyDYJUMRPNODETOX-UHFFFAOYSA-N
MW269.21 g/mol
LogP2.82
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine

2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine (PubChem CID 106291983) has the molecular formula C11H12F5NO and a molecular weight of 269.21 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
PubChem CID106291983
Molecular FormulaC11H12F5NO
Molecular Weight269.21 g/mol
Exact Mass269.08
IUPAC Name2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
SMILESCOc1cccc(CNCC(F)(F)C(F)F)c1F
InChIInChI=1S/C11H12F5NO/c1-18-8-4-2-3-7(9(8)12)5-17-6-11(15,16)10(13)14/h2-4,10,17H,5-6H2,1H3
InChIKeyDYJUMRPNODETOX-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine 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

1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 104791866
1-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 113453542
1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104791604
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 104791777
N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine
CID 104791408
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 104791736
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 104791514
N-[(2-fluoro-3-methoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 113453546
2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791607
4-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methoxybutan-2-ol
CID 114163606
2,6-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791540

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine (CID 106291983) is 2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine is COc1cccc(CNCC(F)(F)C(F)F)c1F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is DYJUMRPNODETOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5NO/c1-18-8-4-2-3-7(9(8)12)5-17-6-11(15,16)10(13)14/h2-4,10,17H,5-6H2,1H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine?
2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 269.21 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 106291983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).