(1R)-1-(5,7-difluoro-2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanamine

C10H8F5NO — CID 66511549

IUPAC(1R)-1-(5,7-difluoro-2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanamine
SMILESN[C@H](c1c(F)cc2c(c1F)OCC2)C(F)(F)F
InChIInChI=1S/C10H8F5NO/c11-5-3-4-1-2-17-8(4)7(12)6(5)9(16)10(13,14)15/h3,9H,1-2,16H2/t9-/m1/s1
InChIKeyFIPBOIAPKHCZSS-SECBINFHSA-N
MW253.17 g/mol
LogP2.46
Rot. Bonds1

About (1R)-1-(5,7-difluoro-2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanamine

(1R)-1-(5,7-difluoro-2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanamine (PubChem CID 66511549) has the molecular formula C10H8F5NO and a molecular weight of 253.17 g/mol. Its IUPAC name is (1R)-1-(5,7-difluoro-2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(5,7-difluoro-2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanamine
PubChem CID66511549
Molecular FormulaC10H8F5NO
Molecular Weight253.17 g/mol
Exact Mass253.05
IUPAC Name(1R)-1-(5,7-difluoro-2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanamine
SMILESN[C@H](c1c(F)cc2c(c1F)OCC2)C(F)(F)F
InChIInChI=1S/C10H8F5NO/c11-5-3-4-1-2-17-8(4)7(12)6(5)9(16)10(13,14)15/h3,9H,1-2,16H2/t9-/m1/s1
InChIKeyFIPBOIAPKHCZSS-SECBINFHSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.17
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5,7-difluoro-2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of (1R)-1-(5,7-difluoro-2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanamine (CID 66511549) is (1R)-1-(5,7-difluoro-2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1R)-1-(5,7-difluoro-2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for (1R)-1-(5,7-difluoro-2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanamine is N[C@H](c1c(F)cc2c(c1F)OCC2)C(F)(F)F.
What is the InChIKey of (1R)-1-(5,7-difluoro-2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanamine?
The InChIKey is FIPBOIAPKHCZSS-SECBINFHSA-N. The full InChI is InChI=1S/C10H8F5NO/c11-5-3-4-1-2-17-8(4)7(12)6(5)9(16)10(13,14)15/h3,9H,1-2,16H2/t9-/m1/s1.
What are the key properties of (1R)-1-(5,7-difluoro-2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanamine?
(1R)-1-(5,7-difluoro-2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanamine has a molecular weight of 253.17 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5,7-difluoro-2,3-dihydro-1-benzofuran-6-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 66511549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).