1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol

C16H15F2NO2 — CID 107681840

IUPAC1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CCC2Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H15F2NO2/c17-16(18)21-13-5-2-11(3-6-13)19-15-8-1-10-9-12(20)4-7-14(10)15/h2-7,9,15-16,19-20H,1,8H2
InChIKeyANSDTKKWOLWWSQ-UHFFFAOYSA-N
MW291.30 g/mol
LogP4.09
Rot. Bonds4

About 1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol

1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 107681840) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol
PubChem CID107681840
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CCC2Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H15F2NO2/c17-16(18)21-13-5-2-11(3-6-13)19-15-8-1-10-9-12(20)4-7-14(10)15/h2-7,9,15-16,19-20H,1,8H2
InChIKeyANSDTKKWOLWWSQ-UHFFFAOYSA-N
XLogP4.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115917148
1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681800
1-(4-ethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681814
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
4-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylbenzamide
CID 107682006
1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107682586
1-(2,4,6-trifluoroanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682439
1-(2,3-dihydro-1-benzofuran-5-ylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682101
5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-1,3-dihydrobenzimidazol-2-one
CID 107681837
1-(3-propoxyanilino)-2,3-dihydro-1H-inden-5-ol
CID 107682035
1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107682026

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol (CID 107681840) is 1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol is Oc1ccc2c(c1)CCC2Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is ANSDTKKWOLWWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c17-16(18)21-13-5-2-11(3-6-13)19-15-8-1-10-9-12(20)4-7-14(10)15/h2-7,9,15-16,19-20H,1,8H2.
What are the key properties of 1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol?
1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 291.30 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)anilino]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107681840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).