4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine

C13H15F4NO — CID 79484089

IUPAC4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCCOCC(F)(F)F
InChIInChI=1S/C13H15F4NO/c14-11-3-1-2-10-9(11)4-5-12(10)18-6-7-19-8-13(15,16)17/h1-3,12,18H,4-8H2
InChIKeyGXFGKUGPGFEHPC-UHFFFAOYSA-N
MW277.26 g/mol
LogP2.98
Rot. Bonds5

About 4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 79484089) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID79484089
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESFc1cccc2c1CCC2NCCOCC(F)(F)F
InChIInChI=1S/C13H15F4NO/c14-11-3-1-2-10-9(11)4-5-12(10)18-6-7-19-8-13(15,16)17/h1-3,12,18H,4-8H2
InChIKeyGXFGKUGPGFEHPC-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-difluorobenzyl)-1-methoxypropan-2-amine
CID 2851055
4-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 54775831
5-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 55264704
N-(2,5-difluorobenzyl)-1-methoxypropan-2-amine
CID 3126331
N-(2-ethoxyethyl)-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 126810075
N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine
CID 2245144
(2S)-N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine
CID 792686
(2S)-1-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 26458622
2-({[4-Fluoro-2-(trifluoromethyl)phenyl]methyl}amino)ethan-1-ol
CID 81646402
N-(3,3-dimethyl-1,2-dihydroinden-1-yl)oxolan-3-amine
CID 132345146
Acetamide, N-(2,3-dihydro-1H-inden-1-yl)-2,2,2-trifluoro-
CID 14511476
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2,2,2-trifluoroacetamide
CID 14511477

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 79484089) is 4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine is Fc1cccc2c1CCC2NCCOCC(F)(F)F.
What is the InChIKey of 4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GXFGKUGPGFEHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c14-11-3-1-2-10-9(11)4-5-12(10)18-6-7-19-8-13(15,16)17/h1-3,12,18H,4-8H2.
What are the key properties of 4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 277.26 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79484089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).