1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol

C15H12F3NO — CID 107682439

IUPAC1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CCC2Nc1c(F)cc(F)cc1F
InChIInChI=1S/C15H12F3NO/c16-9-6-12(17)15(13(18)7-9)19-14-4-1-8-5-10(20)2-3-11(8)14/h2-3,5-7,14,19-20H,1,4H2
InChIKeyIJLSNRHYWDWROK-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.91
Rot. Bonds2

About 1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol

1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107682439) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107682439
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CCC2Nc1c(F)cc(F)cc1F
InChIInChI=1S/C15H12F3NO/c16-9-6-12(17)15(13(18)7-9)19-14-4-1-8-5-10(20)2-3-11(8)14/h2-3,5-7,14,19-20H,1,4H2
InChIKeyIJLSNRHYWDWROK-UHFFFAOYSA-N
XLogP3.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682700
5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83081805
1-(4-bromo-2,5-difluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682773
N-(2,6-dichlorophenyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116531042
4-fluoro-3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 107682090
1-(4-bromo-2,6-dimethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682184
1-(4-fluoro-3-methoxyanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682716
2-fluoro-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 107682089
1-(4-hydroxy-2-methylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682398
1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681800
2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine
CID 133371682
N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83077299

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol (CID 107682439) is 1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol is Oc1ccc2c(c1)CCC2Nc1c(F)cc(F)cc1F.
What is the InChIKey of 1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is IJLSNRHYWDWROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c16-9-6-12(17)15(13(18)7-9)19-14-4-1-8-5-10(20)2-3-11(8)14/h2-3,5-7,14,19-20H,1,4H2.
What are the key properties of 1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol?
1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 279.26 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107682439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).