1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone

C16H13F2NO — CID 62206765

IUPAC1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
SMILESO=C(CN1Cc2ccccc2C1)c1cc(F)ccc1F
InChIInChI=1S/C16H13F2NO/c17-13-5-6-15(18)14(7-13)16(20)10-19-8-11-3-1-2-4-12(11)9-19/h1-7H,8-10H2
InChIKeyJKYZRCQBNDKBSC-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.16
Rot. Bonds3

About 1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone

1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone (PubChem CID 62206765) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
PubChem CID62206765
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
SMILESO=C(CN1Cc2ccccc2C1)c1cc(F)ccc1F
InChIInChI=1S/C16H13F2NO/c17-13-5-6-15(18)14(7-13)16(20)10-19-8-11-3-1-2-4-12(11)9-19/h1-7H,8-10H2
InChIKeyJKYZRCQBNDKBSC-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone (CID 62206765) is 1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone is O=C(CN1Cc2ccccc2C1)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone?
The InChIKey is JKYZRCQBNDKBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c17-13-5-6-15(18)14(7-13)16(20)10-19-8-11-3-1-2-4-12(11)9-19/h1-7H,8-10H2.
What are the key properties of 1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone?
1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone has a molecular weight of 273.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone is sourced from PubChem (CID 62206765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).