1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol

C15H13F2NO — CID 43637015

IUPAC1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2Nc1cc(F)cc(F)c1
InChIInChI=1S/C15H13F2NO/c16-9-6-10(17)8-11(7-9)18-14-5-4-13-12(14)2-1-3-15(13)19/h1-3,6-8,14,18-19H,4-5H2
InChIKeyIIWBJSDBOGOLCW-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.77
Rot. Bonds2

About 1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol

1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol (PubChem CID 43637015) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol
PubChem CID43637015
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2Nc1cc(F)cc(F)c1
InChIInChI=1S/C15H13F2NO/c16-9-6-10(17)8-11(7-9)18-14-5-4-13-12(14)2-1-3-15(13)19/h1-3,6-8,14,18-19H,4-5H2
InChIKeyIIWBJSDBOGOLCW-UHFFFAOYSA-N
XLogP3.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-difluorophenyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 79483667
1-(3-fluoro-5-nitroanilino)-2,3-dihydro-1H-inden-4-ol
CID 107334564
1-(4-bromo-3-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 65435898
1-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol
CID 43637127
1-(2-chloro-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 107527595
1-(2-bromo-5-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 107633285
4-fluoro-N-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83067325
1-(3-ethynylanilino)-2,3-dihydro-1H-inden-4-ol
CID 43636895
1-(4-chloro-2-fluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 43716642
4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzenesulfonamide
CID 43636972
1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 82794380
1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 43690629

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol (CID 43637015) is 1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol is Oc1cccc2c1CCC2Nc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol?
The InChIKey is IIWBJSDBOGOLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c16-9-6-10(17)8-11(7-9)18-14-5-4-13-12(14)2-1-3-15(13)19/h1-3,6-8,14,18-19H,4-5H2.
What are the key properties of 1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol?
1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol has a molecular weight of 261.27 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 43637015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).