(3S)-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

C9H9ClF3NO2 — CID 169449135

IUPAC(3S)-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.N[C@@H]1COc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C9H8F3NO2.ClH/c10-9(11,12)15-5-1-2-6-7(13)4-14-8(6)3-5;/h1-3,7H,4,13H2;1H/t7-;/m1./s1
InChIKeyPTVCHEINXNNKHW-OGFXRTJISA-N
MW255.62 g/mol
LogP2.40
Rot. Bonds1

About (3S)-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

(3S)-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (PubChem CID 169449135) has the molecular formula C9H9ClF3NO2 and a molecular weight of 255.62 g/mol. Its IUPAC name is (3S)-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
PubChem CID169449135
Molecular FormulaC9H9ClF3NO2
Molecular Weight255.62 g/mol
Exact Mass255.03
IUPAC Name(3S)-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.N[C@@H]1COc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C9H8F3NO2.ClH/c10-9(11,12)15-5-1-2-6-7(13)4-14-8(6)3-5;/h1-3,7H,4,13H2;1H/t7-;/m1./s1
InChIKeyPTVCHEINXNNKHW-OGFXRTJISA-N
XLogP2.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.62
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The IUPAC name of (3S)-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (CID 169449135) is (3S)-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.
What is the SMILES notation for (3S)-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The canonical SMILES for (3S)-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is Cl.N[C@@H]1COc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of (3S)-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The InChIKey is PTVCHEINXNNKHW-OGFXRTJISA-N. The full InChI is InChI=1S/C9H8F3NO2.ClH/c10-9(11,12)15-5-1-2-6-7(13)4-14-8(6)3-5;/h1-3,7H,4,13H2;1H/t7-;/m1./s1.
What are the key properties of (3S)-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
(3S)-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride has a molecular weight of 255.62 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is sourced from PubChem (CID 169449135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).