1-[1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]propan-1-ol

C24H23F2NO — CID 10738495

IUPAC1-[1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]propan-1-ol
SMILESCCC(O)c1ccc2c(c1)CCN2C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H23F2NO/c1-2-23(28)19-7-12-22-18(15-19)13-14-27(22)24(16-3-8-20(25)9-4-16)17-5-10-21(26)11-6-17/h3-12,15,23-24,28H,2,13-14H2,1H3
InChIKeySSXPABFDVFAZFZ-UHFFFAOYSA-N
MW379.45 g/mol
LogP5.56
Rot. Bonds5

About 1-[1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]propan-1-ol

1-[1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]propan-1-ol (PubChem CID 10738495) has the molecular formula C24H23F2NO and a molecular weight of 379.45 g/mol. Its IUPAC name is 1-[1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]propan-1-ol
PubChem CID10738495
Molecular FormulaC24H23F2NO
Molecular Weight379.45 g/mol
Exact Mass379.17
IUPAC Name1-[1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]propan-1-ol
SMILESCCC(O)c1ccc2c(c1)CCN2C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H23F2NO/c1-2-23(28)19-7-12-22-18(15-19)13-14-27(22)24(16-3-8-20(25)9-4-16)17-5-10-21(26)11-6-17/h3-12,15,23-24,28H,2,13-14H2,1H3
InChIKeySSXPABFDVFAZFZ-UHFFFAOYSA-N
XLogP5.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.45
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]propan-1-ol?
The IUPAC name of 1-[1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]propan-1-ol (CID 10738495) is 1-[1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]propan-1-ol?
The canonical SMILES for 1-[1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]propan-1-ol is CCC(O)c1ccc2c(c1)CCN2C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]propan-1-ol?
The InChIKey is SSXPABFDVFAZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO/c1-2-23(28)19-7-12-22-18(15-19)13-14-27(22)24(16-3-8-20(25)9-4-16)17-5-10-21(26)11-6-17/h3-12,15,23-24,28H,2,13-14H2,1H3.
What are the key properties of 1-[1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]propan-1-ol?
1-[1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]propan-1-ol has a molecular weight of 379.45 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]propan-1-ol is sourced from PubChem (CID 10738495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).