1-(1,3-dihydro-2-benzofuran-5-yl)-3,3,3-trifluoropropan-1-amine

C11H12F3NO — CID 63019699

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)c1ccc2c(c1)COC2
InChIInChI=1S/C11H12F3NO/c12-11(13,14)4-10(15)7-1-2-8-5-16-6-9(8)3-7/h1-3,10H,4-6,15H2
InChIKeyGWAWMQGYDKBKIH-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.67
Rot. Bonds2

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

1-(1,3-dihydro-2-benzofuran-5-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 63019699) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID63019699
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)c1ccc2c(c1)COC2
InChIInChI=1S/C11H12F3NO/c12-11(13,14)4-10(15)7-1-2-8-5-16-6-9(8)3-7/h1-3,10H,4-6,15H2
InChIKeyGWAWMQGYDKBKIH-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3,3,3-trifluoropropan-1-amine (CID 63019699) is 1-(1,3-dihydro-2-benzofuran-5-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-3,3,3-trifluoropropan-1-amine is NC(CC(F)(F)F)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is GWAWMQGYDKBKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)4-10(15)7-1-2-8-5-16-6-9(8)3-7/h1-3,10H,4-6,15H2.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-3,3,3-trifluoropropan-1-amine?
1-(1,3-dihydro-2-benzofuran-5-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 231.22 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 63019699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).