2-(aminomethyl)-7-fluoro-2,3-dihydro-1H-inden-5-ol;hydrochloride

C10H13ClFNO — CID 155103862

IUPAC2-(aminomethyl)-7-fluoro-2,3-dihydro-1H-inden-5-ol;hydrochloride
SMILESCl.NCC1Cc2cc(O)cc(F)c2C1
InChIInChI=1S/C10H12FNO.ClH/c11-10-4-8(13)3-7-1-6(5-12)2-9(7)10;/h3-4,6,13H,1-2,5,12H2;1H
InChIKeyVVNSJYWUSOLPCM-UHFFFAOYSA-N
MW217.67 g/mol
LogP1.63
Rot. Bonds1

About 2-(aminomethyl)-7-fluoro-2,3-dihydro-1H-inden-5-ol;hydrochloride

2-(aminomethyl)-7-fluoro-2,3-dihydro-1H-inden-5-ol;hydrochloride (PubChem CID 155103862) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 2-(aminomethyl)-7-fluoro-2,3-dihydro-1H-inden-5-ol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-7-fluoro-2,3-dihydro-1H-inden-5-ol;hydrochloride
PubChem CID155103862
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name2-(aminomethyl)-7-fluoro-2,3-dihydro-1H-inden-5-ol;hydrochloride
SMILESCl.NCC1Cc2cc(O)cc(F)c2C1
InChIInChI=1S/C10H12FNO.ClH/c11-10-4-8(13)3-7-1-6(5-12)2-9(7)10;/h3-4,6,13H,1-2,5,12H2;1H
InChIKeyVVNSJYWUSOLPCM-UHFFFAOYSA-N
XLogP1.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-7-fluoro-2,3-dihydro-1H-inden-5-ol;hydrochloride?
The IUPAC name of 2-(aminomethyl)-7-fluoro-2,3-dihydro-1H-inden-5-ol;hydrochloride (CID 155103862) is 2-(aminomethyl)-7-fluoro-2,3-dihydro-1H-inden-5-ol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-7-fluoro-2,3-dihydro-1H-inden-5-ol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-7-fluoro-2,3-dihydro-1H-inden-5-ol;hydrochloride is Cl.NCC1Cc2cc(O)cc(F)c2C1.
What is the InChIKey of 2-(aminomethyl)-7-fluoro-2,3-dihydro-1H-inden-5-ol;hydrochloride?
The InChIKey is VVNSJYWUSOLPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO.ClH/c11-10-4-8(13)3-7-1-6(5-12)2-9(7)10;/h3-4,6,13H,1-2,5,12H2;1H.
What are the key properties of 2-(aminomethyl)-7-fluoro-2,3-dihydro-1H-inden-5-ol;hydrochloride?
2-(aminomethyl)-7-fluoro-2,3-dihydro-1H-inden-5-ol;hydrochloride has a molecular weight of 217.67 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-7-fluoro-2,3-dihydro-1H-inden-5-ol;hydrochloride is sourced from PubChem (CID 155103862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).