1-(2,3-dihydro-1H-inden-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

C13H16F3NO — CID 103207092

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H16F3NO/c14-13(15,16)8-18-7-12(17)11-5-4-9-2-1-3-10(9)6-11/h4-6,12H,1-3,7-8,17H2
InChIKeyZCEWRSQLCLCXTD-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.75
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine

1-(2,3-dihydro-1H-inden-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103207092) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103207092
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESNC(COCC(F)(F)F)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H16F3NO/c14-13(15,16)8-18-7-12(17)11-5-4-9-2-1-3-10(9)6-11/h4-6,12H,1-3,7-8,17H2
InChIKeyZCEWRSQLCLCXTD-UHFFFAOYSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 82283128
1-naphthalen-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16780890
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 107289462
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 116932733
1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207062
1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16785577
7-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103210715
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine
CID 104987476
1-(2,3-dihydro-1H-inden-5-yl)-5,5-dimethylhex-3-yn-1-amine
CID 114190611
2,3-dihydro-1H-inden-5-yl-[2-(trifluoromethyl)phenyl]methanamine
CID 43115595

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103207092) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is NC(COCC(F)(F)F)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is ZCEWRSQLCLCXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)8-18-7-12(17)11-5-4-9-2-1-3-10(9)6-11/h4-6,12H,1-3,7-8,17H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 259.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103207092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).