1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C12H15F3N2O — CID 65379062

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCC(NCC(F)(F)F)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)7-17-10(6-16)8-1-2-11-9(5-8)3-4-18-11/h1-2,5,10,17H,3-4,6-7,16H2
InChIKeyHDFLXFBAPYAENS-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.77
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 65379062) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID65379062
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCC(NCC(F)(F)F)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)7-17-10(6-16)8-1-2-11-9(5-8)3-4-18-11/h1-2,5,10,17H,3-4,6-7,16H2
InChIKeyHDFLXFBAPYAENS-UHFFFAOYSA-N
XLogP1.77
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine
CID 62065655
[1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine
CID 105328955
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine
CID 43198478
N-(3-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 107364594
[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215845
3-[1-(2,3-dihydro-1-benzofuran-5-yl)propylamino]-1,1,1-trifluoropropan-2-ol
CID 103778642
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171240485
N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 97042537
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914
N-(3-chloro-4-methylphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 104721726
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947980

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 65379062) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCC(NCC(F)(F)F)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is HDFLXFBAPYAENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)7-17-10(6-16)8-1-2-11-9(5-8)3-4-18-11/h1-2,5,10,17H,3-4,6-7,16H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 260.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 65379062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).