2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-7-amine

C9H10F3NO — CID 155249019

IUPAC2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-7-amine
SMILESNC1CCCc2cc(C(F)(F)F)oc21
InChIInChI=1S/C9H10F3NO/c10-9(11,12)7-4-5-2-1-3-6(13)8(5)14-7/h4,6H,1-3,13H2
InChIKeyPQIBTBHQGDTRIH-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.63
Rot. Bonds

About 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-7-amine

2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-7-amine (PubChem CID 155249019) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-7-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-7-amine
PubChem CID155249019
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-7-amine
SMILESNC1CCCc2cc(C(F)(F)F)oc21
InChIInChI=1S/C9H10F3NO/c10-9(11,12)7-4-5-2-1-3-6(13)8(5)14-7/h4,6H,1-3,13H2
InChIKeyPQIBTBHQGDTRIH-UHFFFAOYSA-N
XLogP2.63
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-7-amine?
The IUPAC name of 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-7-amine (CID 155249019) is 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-7-amine.
What is the SMILES notation for 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-7-amine?
The canonical SMILES for 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-7-amine is NC1CCCc2cc(C(F)(F)F)oc21.
What is the InChIKey of 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-7-amine?
The InChIKey is PQIBTBHQGDTRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)7-4-5-2-1-3-6(13)8(5)14-7/h4,6H,1-3,13H2.
What are the key properties of 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-7-amine?
2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-7-amine has a molecular weight of 205.18 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-7-amine is sourced from PubChem (CID 155249019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).