3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol

C15H12BrClFNO — CID 107089512

IUPAC3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(c2ccc(Br)c(Cl)c2F)c2ccccc21
InChIInChI=1S/C15H12BrClFNO/c16-11-6-5-10(14(18)13(11)17)15(20)7-12(19)8-3-1-2-4-9(8)15/h1-6,12,20H,7,19H2
InChIKeyPTSFBVAEXWBCTK-UHFFFAOYSA-N
MW356.62 g/mol
LogP3.88
Rot. Bonds1

About 3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol

3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol (PubChem CID 107089512) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is 3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol
PubChem CID107089512
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC Name3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(c2ccc(Br)c(Cl)c2F)c2ccccc21
InChIInChI=1S/C15H12BrClFNO/c16-11-6-5-10(14(18)13(11)17)15(20)7-12(19)8-3-1-2-4-9(8)15/h1-6,12,20H,7,19H2
InChIKeyPTSFBVAEXWBCTK-UHFFFAOYSA-N
XLogP3.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.62
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-Amino-1-[(3-bromo-2,6-difluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 106265723
3-Amino-1-(4-bromo-3-chloro-2-fluorophenyl)cyclopentan-1-ol
CID 106761472
3-Amino-1-(5-bromo-2-fluorophenyl)-2,3-dihydroinden-1-ol
CID 107089543
3-Amino-1-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089564
3-Amino-1-(3-bromo-2,6-difluorophenyl)-2,3-dihydroinden-1-ol
CID 107089591
3-Amino-1-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089596
3-Amino-1-[(2-chloro-3-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089635
3-Amino-1-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089643
3-Amino-1-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089729
3-Amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089730
3-Amino-1-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089743
3-Amino-1-(4-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol
CID 107089748

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol (CID 107089512) is 3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol is NC1CC(O)(c2ccc(Br)c(Cl)c2F)c2ccccc21.
What is the InChIKey of 3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol?
The InChIKey is PTSFBVAEXWBCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c16-11-6-5-10(14(18)13(11)17)15(20)7-12(19)8-3-1-2-4-9(8)15/h1-6,12,20H,7,19H2.
What are the key properties of 3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol?
3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol has a molecular weight of 356.62 g/mol, XLogP of 3.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-bromo-3-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).