(4-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl)methanol

C10H12FNO — CID 156862716

IUPAC(4-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl)methanol
SMILESNc1ccc(F)c2c1CC(CO)C2
InChIInChI=1S/C10H12FNO/c11-9-1-2-10(12)8-4-6(5-13)3-7(8)9/h1-2,6,13H,3-5,12H2
InChIKeyLXHNZNHQKCUZNI-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.12
Rot. Bonds1

About (4-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl)methanol

(4-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl)methanol (PubChem CID 156862716) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (4-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl)methanol.

Molecular Properties

Compound Name(4-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl)methanol
PubChem CID156862716
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(4-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl)methanol
SMILESNc1ccc(F)c2c1CC(CO)C2
InChIInChI=1S/C10H12FNO/c11-9-1-2-10(12)8-4-6(5-13)3-7(8)9/h1-2,6,13H,3-5,12H2
InChIKeyLXHNZNHQKCUZNI-UHFFFAOYSA-N
XLogP1.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl)methanol?
The IUPAC name of (4-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl)methanol (CID 156862716) is (4-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl)methanol.
What is the SMILES notation for (4-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl)methanol?
The canonical SMILES for (4-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl)methanol is Nc1ccc(F)c2c1CC(CO)C2.
What is the InChIKey of (4-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl)methanol?
The InChIKey is LXHNZNHQKCUZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-9-1-2-10(12)8-4-6(5-13)3-7(8)9/h1-2,6,13H,3-5,12H2.
What are the key properties of (4-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl)methanol?
(4-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl)methanol has a molecular weight of 181.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-7-fluoro-2,3-dihydro-1H-inden-2-yl)methanol is sourced from PubChem (CID 156862716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).