1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol

C15H13BrFNO — CID 65435898

IUPAC1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2Nc1ccc(Br)c(F)c1
InChIInChI=1S/C15H13BrFNO/c16-12-6-4-9(8-13(12)17)18-14-7-5-11-10(14)2-1-3-15(11)19/h1-4,6,8,14,18-19H,5,7H2
InChIKeyNADHBZXGPJGASP-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.39
Rot. Bonds2

About 1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol

1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 65435898) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
PubChem CID65435898
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2Nc1ccc(Br)c(F)c1
InChIInChI=1S/C15H13BrFNO/c16-12-6-4-9(8-13(12)17)18-14-7-5-11-10(14)2-1-3-15(11)19/h1-4,6,8,14,18-19H,5,7H2
InChIKeyNADHBZXGPJGASP-UHFFFAOYSA-N
XLogP4.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol (CID 65435898) is 1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol is Oc1cccc2c1CCC2Nc1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is NADHBZXGPJGASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c16-12-6-4-9(8-13(12)17)18-14-7-5-11-10(14)2-1-3-15(11)19/h1-4,6,8,14,18-19H,5,7H2.
What are the key properties of 1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol?
1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 322.18 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 65435898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).