5-chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol

C16H10ClF4NO — CID 90735585

IUPAC5-chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol
SMILESOc1c2c(C(F)(F)F)cc(Cl)cc2cn1Cc1ccc(F)cc1
InChIInChI=1S/C16H10ClF4NO/c17-11-5-10-8-22(7-9-1-3-12(18)4-2-9)15(23)14(10)13(6-11)16(19,20)21/h1-6,8,23H,7H2
InChIKeyRLDOQGFPAPEDAS-UHFFFAOYSA-N
MW343.71 g/mol
LogP5.21
Rot. Bonds2

About 5-chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol

5-chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol (PubChem CID 90735585) has the molecular formula C16H10ClF4NO and a molecular weight of 343.71 g/mol. Its IUPAC name is 5-chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol.

Molecular Properties

Compound Name5-chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol
PubChem CID90735585
Molecular FormulaC16H10ClF4NO
Molecular Weight343.71 g/mol
Exact Mass343.04
IUPAC Name5-chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol
SMILESOc1c2c(C(F)(F)F)cc(Cl)cc2cn1Cc1ccc(F)cc1
InChIInChI=1S/C16H10ClF4NO/c17-11-5-10-8-22(7-9-1-3-12(18)4-2-9)15(23)14(10)13(6-11)16(19,20)21/h1-6,8,23H,7H2
InChIKeyRLDOQGFPAPEDAS-UHFFFAOYSA-N
XLogP5.21
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.71
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-Chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol
CID 90687564
7-Chloro-2-[(4-fluorophenyl)methyl]-5-(piperidin-4-ylmethyl)isoindol-1-ol
CID 90700186
5-Chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol
CID 90703191
6-Fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol
CID 90705871
7-Chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol
CID 90719863
2-[(4-Fluorophenyl)methyl]-7-iodoisoindol-1-ol
CID 90733817
2-[(4-Chlorophenyl)methyl]-6-fluoro-3-hydroxyisoindole-4-carbonitrile
CID 90740610
7-Chloro-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90754498
7-Chloro-6-fluoro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90762498
7-Chloro-2-[(4,4-difluorocyclohexyl)methyl]-1-hydroxyisoindole-5-carbonitrile
CID 90765142
2-[[4-(Trifluoromethyl)phenyl]methyl]isoindol-1-ol
CID 90773222
5,7-Dichloro-2-[[4-(difluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90781008

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol?
The IUPAC name of 5-chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol (CID 90735585) is 5-chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol.
What is the SMILES notation for 5-chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol?
The canonical SMILES for 5-chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol is Oc1c2c(C(F)(F)F)cc(Cl)cc2cn1Cc1ccc(F)cc1.
What is the InChIKey of 5-chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol?
The InChIKey is RLDOQGFPAPEDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF4NO/c17-11-5-10-8-22(7-9-1-3-12(18)4-2-9)15(23)14(10)13(6-11)16(19,20)21/h1-6,8,23H,7H2.
What are the key properties of 5-chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol?
5-chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol has a molecular weight of 343.71 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol is sourced from PubChem (CID 90735585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).