1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine

C10H10F3NO — CID 43198478

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine
SMILESNC(c1ccc2c(c1)CCO2)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9(14)7-1-2-8-6(5-7)3-4-15-8/h1-2,5,9H,3-4,14H2
InChIKeyZOKOSKWXUBOTPC-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.18
Rot. Bonds1

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine (PubChem CID 43198478) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine
PubChem CID43198478
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine
SMILESNC(c1ccc2c(c1)CCO2)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9(14)7-1-2-8-6(5-7)3-4-15-8/h1-2,5,9H,3-4,14H2
InChIKeyZOKOSKWXUBOTPC-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171240485
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,3,3-tetrafluoropropan-1-amine
CID 79660691
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215845
1-(2,3-dihydro-1-benzofuran-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 113425110
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,2,2-trifluoroethanamine
CID 43197420
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 104542557
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanesulfonyl chloride
CID 114827537

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine (CID 43198478) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine is NC(c1ccc2c(c1)CCO2)C(F)(F)F.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine?
The InChIKey is ZOKOSKWXUBOTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)9(14)7-1-2-8-6(5-7)3-4-15-8/h1-2,5,9H,3-4,14H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine has a molecular weight of 217.19 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 43198478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).