6-fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol

C16H13F2NO — CID 90705871

IUPAC6-fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol
SMILESCc1c(F)ccc2cn(Cc3ccc(F)cc3)c(O)c12
InChIInChI=1S/C16H13F2NO/c1-10-14(18)7-4-12-9-19(16(20)15(10)12)8-11-2-5-13(17)6-3-11/h2-7,9,20H,8H2,1H3
InChIKeyCEFYNDVBAJIZLY-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.98
Rot. Bonds2

About 6-fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol

6-fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol (PubChem CID 90705871) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 6-fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol.

Molecular Properties

Compound Name6-fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol
PubChem CID90705871
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name6-fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol
SMILESCc1c(F)ccc2cn(Cc3ccc(F)cc3)c(O)c12
InChIInChI=1S/C16H13F2NO/c1-10-14(18)7-4-12-9-19(16(20)15(10)12)8-11-2-5-13(17)6-3-11/h2-7,9,20H,8H2,1H3
InChIKeyCEFYNDVBAJIZLY-UHFFFAOYSA-N
XLogP3.98
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Isoindolol
CID 21225249
2-Methyl-4-[2-[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-4,9-dihydrobenzo[f]isoindole-1,3-diol
CID 54064308
6-fluoro-2H-isoindol-1-ol
CID 54270389
4-fluoro-2H-isoindol-1-ol
CID 54413322
4-(6-Ethyl-4-methylindol-1-yl)-2-fluorophenol
CID 68199547
2,2,2-Trifluoro-1-[4-(3-isoindol-2-ylpropyl)phenyl]ethanol
CID 69620548
2-Fluoro-4-[3-methyl-4-(2-phenylethyl)indol-1-yl]phenol
CID 70986827
(1-Benzyl-3-fluoro-7-methylindol-6-yl)methanol
CID 90133255
2-[(4-Chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol
CID 90687564
5-Methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol
CID 90710239
7-Chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol
CID 90719863
5-[2-(3,4-difluorophenyl)ethynyl]-2H-isoindol-1-ol
CID 90731778

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol?
The IUPAC name of 6-fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol (CID 90705871) is 6-fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol.
What is the SMILES notation for 6-fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol?
The canonical SMILES for 6-fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol is Cc1c(F)ccc2cn(Cc3ccc(F)cc3)c(O)c12.
What is the InChIKey of 6-fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol?
The InChIKey is CEFYNDVBAJIZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c1-10-14(18)7-4-12-9-19(16(20)15(10)12)8-11-2-5-13(17)6-3-11/h2-7,9,20H,8H2,1H3.
What are the key properties of 6-fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol?
6-fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol has a molecular weight of 273.28 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol is sourced from PubChem (CID 90705871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).