2-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol

C15H15F2NO — CID 83208185

IUPAC2-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
SMILESOC1CCCc2cn(Cc3ccc(F)c(F)c3)cc21
InChIInChI=1S/C15H15F2NO/c16-13-5-4-10(6-14(13)17)7-18-8-11-2-1-3-15(19)12(11)9-18/h4-6,8-9,15,19H,1-3,7H2
InChIKeyWKONYGOCHAEYPG-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.18
Rot. Bonds2

About 2-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol

2-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol (PubChem CID 83208185) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
PubChem CID83208185
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name2-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
SMILESOC1CCCc2cn(Cc3ccc(F)c(F)c3)cc21
InChIInChI=1S/C15H15F2NO/c16-13-5-4-10(6-14(13)17)7-18-8-11-2-1-3-15(19)12(11)9-18/h4-6,8-9,15,19H,1-3,7H2
InChIKeyWKONYGOCHAEYPG-UHFFFAOYSA-N
XLogP3.18
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol (CID 83208185) is 2-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol is OC1CCCc2cn(Cc3ccc(F)c(F)c3)cc21.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The InChIKey is WKONYGOCHAEYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c16-13-5-4-10(6-14(13)17)7-18-8-11-2-1-3-15(19)12(11)9-18/h4-6,8-9,15,19H,1-3,7H2.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol?
2-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol has a molecular weight of 263.29 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol is sourced from PubChem (CID 83208185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).