4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride

C9H10BrClFN — CID 167722097

IUPAC4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCl.NC1CCc2c(Br)cc(F)cc21
InChIInChI=1S/C9H9BrFN.ClH/c10-8-4-5(11)3-7-6(8)1-2-9(7)12;/h3-4,9H,1-2,12H2;1H
InChIKeySJTCKYCVLXTPKS-UHFFFAOYSA-N
MW266.54 g/mol
LogP2.96
Rot. Bonds

About 4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride

4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride (PubChem CID 167722097) has the molecular formula C9H10BrClFN and a molecular weight of 266.54 g/mol. Its IUPAC name is 4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride.

Molecular Properties

Compound Name4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride
PubChem CID167722097
Molecular FormulaC9H10BrClFN
Molecular Weight266.54 g/mol
Exact Mass264.97
IUPAC Name4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride
SMILESCl.NC1CCc2c(Br)cc(F)cc21
InChIInChI=1S/C9H9BrFN.ClH/c10-8-4-5(11)3-7-6(8)1-2-9(7)12;/h3-4,9H,1-2,12H2;1H
InChIKeySJTCKYCVLXTPKS-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.54
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The IUPAC name of 4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride (CID 167722097) is 4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride.
What is the SMILES notation for 4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The canonical SMILES for 4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride is Cl.NC1CCc2c(Br)cc(F)cc21.
What is the InChIKey of 4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride?
The InChIKey is SJTCKYCVLXTPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN.ClH/c10-8-4-5(11)3-7-6(8)1-2-9(7)12;/h3-4,9H,1-2,12H2;1H.
What are the key properties of 4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride?
4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride has a molecular weight of 266.54 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine;hydrochloride is sourced from PubChem (CID 167722097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).