6-fluoro-3H-isoindol-1-amine;hydrochloride

C8H8ClFN2 — CID 54595026

IUPAC6-fluoro-3H-isoindol-1-amine;hydrochloride
SMILESCl.NC1=NCc2ccc(F)cc21
InChIInChI=1S/C8H7FN2.ClH/c9-6-2-1-5-4-11-8(10)7(5)3-6;/h1-3H,4H2,(H2,10,11);1H
InChIKeyBNMMHLDSZYAOHY-UHFFFAOYSA-N
MW186.62 g/mol
LogP1.47
Rot. Bonds

About 6-fluoro-3H-isoindol-1-amine;hydrochloride

6-fluoro-3H-isoindol-1-amine;hydrochloride (PubChem CID 54595026) has the molecular formula C8H8ClFN2 and a molecular weight of 186.62 g/mol. Its IUPAC name is 6-fluoro-3H-isoindol-1-amine;hydrochloride.

Molecular Properties

Compound Name6-fluoro-3H-isoindol-1-amine;hydrochloride
PubChem CID54595026
Molecular FormulaC8H8ClFN2
Molecular Weight186.62 g/mol
Exact Mass186.04
IUPAC Name6-fluoro-3H-isoindol-1-amine;hydrochloride
SMILESCl.NC1=NCc2ccc(F)cc21
InChIInChI=1S/C8H7FN2.ClH/c9-6-2-1-5-4-11-8(10)7(5)3-6;/h1-3H,4H2,(H2,10,11);1H
InChIKeyBNMMHLDSZYAOHY-UHFFFAOYSA-N
XLogP1.47
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3H-isoindol-1-amine;hydrochloride?
The IUPAC name of 6-fluoro-3H-isoindol-1-amine;hydrochloride (CID 54595026) is 6-fluoro-3H-isoindol-1-amine;hydrochloride.
What is the SMILES notation for 6-fluoro-3H-isoindol-1-amine;hydrochloride?
The canonical SMILES for 6-fluoro-3H-isoindol-1-amine;hydrochloride is Cl.NC1=NCc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-3H-isoindol-1-amine;hydrochloride?
The InChIKey is BNMMHLDSZYAOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2.ClH/c9-6-2-1-5-4-11-8(10)7(5)3-6;/h1-3H,4H2,(H2,10,11);1H.
What are the key properties of 6-fluoro-3H-isoindol-1-amine;hydrochloride?
6-fluoro-3H-isoindol-1-amine;hydrochloride has a molecular weight of 186.62 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3H-isoindol-1-amine;hydrochloride is sourced from PubChem (CID 54595026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).