N-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine

C11H12F3NO — CID 64553362

IUPACN-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESFC(F)(F)CCNC1COc2ccccc21
InChIInChI=1S/C11H12F3NO/c12-11(13,14)5-6-15-9-7-16-10-4-2-1-3-8(9)10/h1-4,9,15H,5-7H2
InChIKeyXLVSMFCAHOFZDY-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.66
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine

N-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 64553362) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID64553362
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC NameN-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESFC(F)(F)CCNC1COc2ccccc21
InChIInChI=1S/C11H12F3NO/c12-11(13,14)5-6-15-9-7-16-10-4-2-1-3-8(9)10/h1-4,9,15H,5-7H2
InChIKeyXLVSMFCAHOFZDY-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine (CID 64553362) is N-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine is FC(F)(F)CCNC1COc2ccccc21.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is XLVSMFCAHOFZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)5-6-15-9-7-16-10-4-2-1-3-8(9)10/h1-4,9,15H,5-7H2.
What are the key properties of N-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine?
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 231.22 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 64553362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).