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

C15H10ClF2NO — CID 90887066

IUPAC7-chloro-5-fluoro-2-[(4-fluorophenyl)methyl]isoindol-1-ol
SMILESOc1c2c(Cl)cc(F)cc2cn1Cc1ccc(F)cc1
InChIInChI=1S/C15H10ClF2NO/c16-13-6-12(18)5-10-8-19(15(20)14(10)13)7-9-1-3-11(17)4-2-9/h1-6,8,20H,7H2
InChIKeyYRBUOEKKEBSQIG-UHFFFAOYSA-N
MW293.70 g/mol
LogP4.33
Rot. Bonds2

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

7-chloro-5-fluoro-2-[(4-fluorophenyl)methyl]isoindol-1-ol (PubChem CID 90887066) has the molecular formula C15H10ClF2NO and a molecular weight of 293.70 g/mol. Its IUPAC name is 7-chloro-5-fluoro-2-[(4-fluorophenyl)methyl]isoindol-1-ol.

Molecular Properties

Compound Name7-chloro-5-fluoro-2-[(4-fluorophenyl)methyl]isoindol-1-ol
PubChem CID90887066
Molecular FormulaC15H10ClF2NO
Molecular Weight293.70 g/mol
Exact Mass293.04
IUPAC Name7-chloro-5-fluoro-2-[(4-fluorophenyl)methyl]isoindol-1-ol
SMILESOc1c2c(Cl)cc(F)cc2cn1Cc1ccc(F)cc1
InChIInChI=1S/C15H10ClF2NO/c16-13-6-12(18)5-10-8-19(15(20)14(10)13)7-9-1-3-11(17)4-2-9/h1-6,8,20H,7H2
InChIKeyYRBUOEKKEBSQIG-UHFFFAOYSA-N
XLogP4.33
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 54.33
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
5-Chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol
CID 90735585
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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-2-[(4-fluorophenyl)methyl]isoindol-1-ol?
The IUPAC name of 7-chloro-5-fluoro-2-[(4-fluorophenyl)methyl]isoindol-1-ol (CID 90887066) is 7-chloro-5-fluoro-2-[(4-fluorophenyl)methyl]isoindol-1-ol.
What is the SMILES notation for 7-chloro-5-fluoro-2-[(4-fluorophenyl)methyl]isoindol-1-ol?
The canonical SMILES for 7-chloro-5-fluoro-2-[(4-fluorophenyl)methyl]isoindol-1-ol is Oc1c2c(Cl)cc(F)cc2cn1Cc1ccc(F)cc1.
What is the InChIKey of 7-chloro-5-fluoro-2-[(4-fluorophenyl)methyl]isoindol-1-ol?
The InChIKey is YRBUOEKKEBSQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO/c16-13-6-12(18)5-10-8-19(15(20)14(10)13)7-9-1-3-11(17)4-2-9/h1-6,8,20H,7H2.
What are the key properties of 7-chloro-5-fluoro-2-[(4-fluorophenyl)methyl]isoindol-1-ol?
7-chloro-5-fluoro-2-[(4-fluorophenyl)methyl]isoindol-1-ol has a molecular weight of 293.70 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-2-[(4-fluorophenyl)methyl]isoindol-1-ol is sourced from PubChem (CID 90887066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).