(4R)-8-bromo-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine

C9H9BrFNS — CID 82887038

IUPAC(4R)-8-bromo-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine
SMILESN[C@H]1CSCc2c(Br)cc(F)cc21
InChIInChI=1S/C9H9BrFNS/c10-8-2-5(11)1-6-7(8)3-13-4-9(6)12/h1-2,9H,3-4,12H2/t9-/m0/s1
InChIKeyONXXQIUIXWJOGP-VIFPVBQESA-N
MW262.15 g/mol
LogP2.83
Rot. Bonds

About (4R)-8-bromo-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine

(4R)-8-bromo-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine (PubChem CID 82887038) has the molecular formula C9H9BrFNS and a molecular weight of 262.15 g/mol. Its IUPAC name is (4R)-8-bromo-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine.

Molecular Properties

Compound Name(4R)-8-bromo-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine
PubChem CID82887038
Molecular FormulaC9H9BrFNS
Molecular Weight262.15 g/mol
Exact Mass260.96
IUPAC Name(4R)-8-bromo-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine
SMILESN[C@H]1CSCc2c(Br)cc(F)cc21
InChIInChI=1S/C9H9BrFNS/c10-8-2-5(11)1-6-7(8)3-13-4-9(6)12/h1-2,9H,3-4,12H2/t9-/m0/s1
InChIKeyONXXQIUIXWJOGP-VIFPVBQESA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-bromo-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine?
The IUPAC name of (4R)-8-bromo-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine (CID 82887038) is (4R)-8-bromo-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine.
What is the SMILES notation for (4R)-8-bromo-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine?
The canonical SMILES for (4R)-8-bromo-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine is N[C@H]1CSCc2c(Br)cc(F)cc21.
What is the InChIKey of (4R)-8-bromo-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine?
The InChIKey is ONXXQIUIXWJOGP-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9BrFNS/c10-8-2-5(11)1-6-7(8)3-13-4-9(6)12/h1-2,9H,3-4,12H2/t9-/m0/s1.
What are the key properties of (4R)-8-bromo-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine?
(4R)-8-bromo-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine has a molecular weight of 262.15 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-bromo-6-fluoro-3,4-dihydro-1H-isothiochromen-4-amine is sourced from PubChem (CID 82887038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).