(1-amino-5-bromo-4-fluoro-2,3-dihydroinden-1-yl)methanol

C10H11BrFNO — CID 131305600

IUPAC(1-amino-5-bromo-4-fluoro-2,3-dihydroinden-1-yl)methanol
SMILESNC1(CO)CCc2c1ccc(Br)c2F
InChIInChI=1S/C10H11BrFNO/c11-8-2-1-7-6(9(8)12)3-4-10(7,13)5-14/h1-2,14H,3-5,13H2
InChIKeyTXHLBEUHGYGPOD-UHFFFAOYSA-N
MW260.11 g/mol
LogP1.68
Rot. Bonds1

About (1-amino-5-bromo-4-fluoro-2,3-dihydroinden-1-yl)methanol

(1-amino-5-bromo-4-fluoro-2,3-dihydroinden-1-yl)methanol (PubChem CID 131305600) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is (1-amino-5-bromo-4-fluoro-2,3-dihydroinden-1-yl)methanol.

Molecular Properties

Compound Name(1-amino-5-bromo-4-fluoro-2,3-dihydroinden-1-yl)methanol
PubChem CID131305600
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name(1-amino-5-bromo-4-fluoro-2,3-dihydroinden-1-yl)methanol
SMILESNC1(CO)CCc2c1ccc(Br)c2F
InChIInChI=1S/C10H11BrFNO/c11-8-2-1-7-6(9(8)12)3-4-10(7,13)5-14/h1-2,14H,3-5,13H2
InChIKeyTXHLBEUHGYGPOD-UHFFFAOYSA-N
XLogP1.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-amino-6-bromo-2,3-dihydro-1H-inden-1-yl)methanol
CID 83912717
rac-((1R,2R)-1-amino-5-bromo-2,3-dihydro-1H-inden-2-yl)methanol
CID 124572260
(1-amino-4-fluoro-2,3-dihydro-1H-inden-1-yl)methanol hydrochloride
CID 165889629
(2R)-2-amino-2-(5-bromo-2,4-difluorophenyl)propan-1-ol
CID 57495986
Rac-2-amino-2-(5-bromo-2,4-difluoro-phenyl)-propan-1-ol
CID 57514198
2-Amino-2-(5-bromo-2-fluorophenyl)propan-1-ol
CID 57514211
(RS)-2-amino-2-(5-bromo-2-fluoro-phenyl)-2-cyclopropyl-ethanol
CID 58155345
(2-Amino-4-bromo-7-fluoro-1,3-dihydroinden-2-yl)methanol
CID 58466660
(R)-2-amino-2-(5-bromo-2-fluorophenyl)propan-1-ol
CID 58563010
2-Amino-2-(5-bromo-2-fluoro-phenyl)-propane-1,3-diol
CID 66665845
2-Amino-2-(3-bromophenyl)-3,3-difluoropropan-1-ol
CID 66665882
(R)-2-Amino-2-(5-bromo-2-fluoro-phenyl)-3,3-difluoro-propan-1-ol
CID 66666098

Frequently Asked Questions

What is the IUPAC name of (1-amino-5-bromo-4-fluoro-2,3-dihydroinden-1-yl)methanol?
The IUPAC name of (1-amino-5-bromo-4-fluoro-2,3-dihydroinden-1-yl)methanol (CID 131305600) is (1-amino-5-bromo-4-fluoro-2,3-dihydroinden-1-yl)methanol.
What is the SMILES notation for (1-amino-5-bromo-4-fluoro-2,3-dihydroinden-1-yl)methanol?
The canonical SMILES for (1-amino-5-bromo-4-fluoro-2,3-dihydroinden-1-yl)methanol is NC1(CO)CCc2c1ccc(Br)c2F.
What is the InChIKey of (1-amino-5-bromo-4-fluoro-2,3-dihydroinden-1-yl)methanol?
The InChIKey is TXHLBEUHGYGPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c11-8-2-1-7-6(9(8)12)3-4-10(7,13)5-14/h1-2,14H,3-5,13H2.
What are the key properties of (1-amino-5-bromo-4-fluoro-2,3-dihydroinden-1-yl)methanol?
(1-amino-5-bromo-4-fluoro-2,3-dihydroinden-1-yl)methanol has a molecular weight of 260.11 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-5-bromo-4-fluoro-2,3-dihydroinden-1-yl)methanol is sourced from PubChem (CID 131305600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).