4,6-dichloro-1-[(3-fluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol

C17H16Cl2FNO — CID 112841449

IUPAC4,6-dichloro-1-[(3-fluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCN(Cc1cccc(F)c1)C1c2cc(Cl)cc(Cl)c2CC1O
InChIInChI=1S/C17H16Cl2FNO/c1-21(9-10-3-2-4-12(20)5-10)17-14-6-11(18)7-15(19)13(14)8-16(17)22/h2-7,16-17,22H,8-9H2,1H3
InChIKeyUQGQREXLPJOLID-UHFFFAOYSA-N
MW340.23 g/mol
LogP4.22
Rot. Bonds3

About 4,6-dichloro-1-[(3-fluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol

4,6-dichloro-1-[(3-fluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 112841449) has the molecular formula C17H16Cl2FNO and a molecular weight of 340.23 g/mol. Its IUPAC name is 4,6-dichloro-1-[(3-fluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name4,6-dichloro-1-[(3-fluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol
PubChem CID112841449
Molecular FormulaC17H16Cl2FNO
Molecular Weight340.23 g/mol
Exact Mass339.06
IUPAC Name4,6-dichloro-1-[(3-fluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCN(Cc1cccc(F)c1)C1c2cc(Cl)cc(Cl)c2CC1O
InChIInChI=1S/C17H16Cl2FNO/c1-21(9-10-3-2-4-12(20)5-10)17-14-6-11(18)7-15(19)13(14)8-16(17)22/h2-7,16-17,22H,8-9H2,1H3
InChIKeyUQGQREXLPJOLID-UHFFFAOYSA-N
XLogP4.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-[(3-fluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 4,6-dichloro-1-[(3-fluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol (CID 112841449) is 4,6-dichloro-1-[(3-fluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 4,6-dichloro-1-[(3-fluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 4,6-dichloro-1-[(3-fluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol is CN(Cc1cccc(F)c1)C1c2cc(Cl)cc(Cl)c2CC1O.
What is the InChIKey of 4,6-dichloro-1-[(3-fluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is UQGQREXLPJOLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FNO/c1-21(9-10-3-2-4-12(20)5-10)17-14-6-11(18)7-15(19)13(14)8-16(17)22/h2-7,16-17,22H,8-9H2,1H3.
What are the key properties of 4,6-dichloro-1-[(3-fluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol?
4,6-dichloro-1-[(3-fluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 340.23 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-[(3-fluorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 112841449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).