2-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroisoindol-4-ol

C16H16F3NO — CID 83210233

IUPAC2-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroisoindol-4-ol
SMILESOC1CCCc2cn(Cc3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C16H16F3NO/c17-16(18,19)13-6-4-11(5-7-13)8-20-9-12-2-1-3-15(21)14(12)10-20/h4-7,9-10,15,21H,1-3,8H2
InChIKeyINGVRYFWJQBHFM-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.92
Rot. Bonds2

About 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroisoindol-4-ol

2-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroisoindol-4-ol (PubChem CID 83210233) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroisoindol-4-ol.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroisoindol-4-ol
PubChem CID83210233
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroisoindol-4-ol
SMILESOC1CCCc2cn(Cc3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C16H16F3NO/c17-16(18,19)13-6-4-11(5-7-13)8-20-9-12-2-1-3-15(21)14(12)10-20/h4-7,9-10,15,21H,1-3,8H2
InChIKeyINGVRYFWJQBHFM-UHFFFAOYSA-N
XLogP3.92
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroisoindol-4-ol (CID 83210233) is 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroisoindol-4-ol.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroisoindol-4-ol is OC1CCCc2cn(Cc3ccc(C(F)(F)F)cc3)cc21.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The InChIKey is INGVRYFWJQBHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c17-16(18,19)13-6-4-11(5-7-13)8-20-9-12-2-1-3-15(21)14(12)10-20/h4-7,9-10,15,21H,1-3,8H2.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroisoindol-4-ol?
2-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroisoindol-4-ol has a molecular weight of 295.30 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydroisoindol-4-ol is sourced from PubChem (CID 83210233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).