2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol

C16H12F3NO — CID 90773222

IUPAC2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-7-5-11(6-8-13)9-20-10-12-3-1-2-4-14(12)15(20)21/h1-8,10,21H,9H2
InChIKeyMATAOKQZELLYKS-UHFFFAOYSA-N
MW291.27 g/mol
LogP4.41
Rot. Bonds2

About 2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol

2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol (PubChem CID 90773222) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol
PubChem CID90773222
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol
SMILESOc1c2ccccc2cn1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)13-7-5-11(6-8-13)9-20-10-12-3-1-2-4-14(12)15(20)21/h1-8,10,21H,9H2
InChIKeyMATAOKQZELLYKS-UHFFFAOYSA-N
XLogP4.41
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.41
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]isoindol-1-ol?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol (CID 90773222) is 2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol is Oc1c2ccccc2cn1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol?
The InChIKey is MATAOKQZELLYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-16(18,19)13-7-5-11(6-8-13)9-20-10-12-3-1-2-4-14(12)15(20)21/h1-8,10,21H,9H2.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol?
2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol has a molecular weight of 291.27 g/mol, XLogP of 4.41, 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]isoindol-1-ol is sourced from PubChem (CID 90773222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).