3-(aminomethyl)-4-fluoro-2,3-dihydro-1H-inden-1-ol

C10H12FNO — CID 82125306

IUPAC3-(aminomethyl)-4-fluoro-2,3-dihydro-1H-inden-1-ol
SMILESNCC1CC(O)c2cccc(F)c21
InChIInChI=1S/C10H12FNO/c11-8-3-1-2-7-9(13)4-6(5-12)10(7)8/h1-3,6,9,13H,4-5,12H2
InChIKeyUEYHALIGTDPHJW-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.31
Rot. Bonds1

About 3-(aminomethyl)-4-fluoro-2,3-dihydro-1H-inden-1-ol

3-(aminomethyl)-4-fluoro-2,3-dihydro-1H-inden-1-ol (PubChem CID 82125306) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-(aminomethyl)-4-fluoro-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-4-fluoro-2,3-dihydro-1H-inden-1-ol
PubChem CID82125306
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-(aminomethyl)-4-fluoro-2,3-dihydro-1H-inden-1-ol
SMILESNCC1CC(O)c2cccc(F)c21
InChIInChI=1S/C10H12FNO/c11-8-3-1-2-7-9(13)4-6(5-12)10(7)8/h1-3,6,9,13H,4-5,12H2
InChIKeyUEYHALIGTDPHJW-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-fluoro-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 3-(aminomethyl)-4-fluoro-2,3-dihydro-1H-inden-1-ol (CID 82125306) is 3-(aminomethyl)-4-fluoro-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 3-(aminomethyl)-4-fluoro-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 3-(aminomethyl)-4-fluoro-2,3-dihydro-1H-inden-1-ol is NCC1CC(O)c2cccc(F)c21.
What is the InChIKey of 3-(aminomethyl)-4-fluoro-2,3-dihydro-1H-inden-1-ol?
The InChIKey is UEYHALIGTDPHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-8-3-1-2-7-9(13)4-6(5-12)10(7)8/h1-3,6,9,13H,4-5,12H2.
What are the key properties of 3-(aminomethyl)-4-fluoro-2,3-dihydro-1H-inden-1-ol?
3-(aminomethyl)-4-fluoro-2,3-dihydro-1H-inden-1-ol has a molecular weight of 181.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-fluoro-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 82125306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).