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

C10H12FNO — CID 83069099

IUPAC(1-amino-4-fluoro-2,3-dihydroinden-1-yl)methanol
SMILESNC1(CO)CCc2c(F)cccc21
InChIInChI=1S/C10H12FNO/c11-9-3-1-2-8-7(9)4-5-10(8,12)6-13/h1-3,13H,4-6,12H2
InChIKeyUAVNYZNFNQNECU-UHFFFAOYSA-N
MW181.21 g/mol
LogP0.92
Rot. Bonds1

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

(1-amino-4-fluoro-2,3-dihydroinden-1-yl)methanol (PubChem CID 83069099) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (1-amino-4-fluoro-2,3-dihydroinden-1-yl)methanol.

Molecular Properties

Compound Name(1-amino-4-fluoro-2,3-dihydroinden-1-yl)methanol
PubChem CID83069099
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(1-amino-4-fluoro-2,3-dihydroinden-1-yl)methanol
SMILESNC1(CO)CCc2c(F)cccc21
InChIInChI=1S/C10H12FNO/c11-9-3-1-2-8-7(9)4-5-10(8,12)6-13/h1-3,13H,4-6,12H2
InChIKeyUAVNYZNFNQNECU-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-amino-4-fluoro-2,3-dihydroinden-1-yl)methanol?
The IUPAC name of (1-amino-4-fluoro-2,3-dihydroinden-1-yl)methanol (CID 83069099) is (1-amino-4-fluoro-2,3-dihydroinden-1-yl)methanol.
What is the SMILES notation for (1-amino-4-fluoro-2,3-dihydroinden-1-yl)methanol?
The canonical SMILES for (1-amino-4-fluoro-2,3-dihydroinden-1-yl)methanol is NC1(CO)CCc2c(F)cccc21.
What is the InChIKey of (1-amino-4-fluoro-2,3-dihydroinden-1-yl)methanol?
The InChIKey is UAVNYZNFNQNECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-9-3-1-2-8-7(9)4-5-10(8,12)6-13/h1-3,13H,4-6,12H2.
What are the key properties of (1-amino-4-fluoro-2,3-dihydroinden-1-yl)methanol?
(1-amino-4-fluoro-2,3-dihydroinden-1-yl)methanol has a molecular weight of 181.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-4-fluoro-2,3-dihydroinden-1-yl)methanol is sourced from PubChem (CID 83069099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).