(4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride

C9H10BrClFNO — CID 171252194

IUPAC(4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCl.N[C@H]1CCOc2c1ccc(Br)c2F
InChIInChI=1S/C9H9BrFNO.ClH/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11;/h1-2,7H,3-4,12H2;1H/t7-;/m0./s1
InChIKeyLDMQOPALRXTTOJ-FJXQXJEOSA-N
MW282.54 g/mol
LogP2.79
Rot. Bonds

About (4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride

(4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride (PubChem CID 171252194) has the molecular formula C9H10BrClFNO and a molecular weight of 282.54 g/mol. Its IUPAC name is (4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride.

Molecular Properties

Compound Name(4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
PubChem CID171252194
Molecular FormulaC9H10BrClFNO
Molecular Weight282.54 g/mol
Exact Mass280.96
IUPAC Name(4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCl.N[C@H]1CCOc2c1ccc(Br)c2F
InChIInChI=1S/C9H9BrFNO.ClH/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11;/h1-2,7H,3-4,12H2;1H/t7-;/m0./s1
InChIKeyLDMQOPALRXTTOJ-FJXQXJEOSA-N
XLogP2.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.54
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252186
(4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine
CID 55292280
(4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844828
8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine
CID 55294993
8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 71432700
4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylic acid;hydrochloride
CID 162344563
(4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine
CID 131161469
(4S)-8-bromo-5-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 79022059
(4R)-8-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 75412145
(4R)-5,8-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 130667179
(4R)-7-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844840
methyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate
CID 146014124

Frequently Asked Questions

What is the IUPAC name of (4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The IUPAC name of (4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride (CID 171252194) is (4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride.
What is the SMILES notation for (4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The canonical SMILES for (4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride is Cl.N[C@H]1CCOc2c1ccc(Br)c2F.
What is the InChIKey of (4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The InChIKey is LDMQOPALRXTTOJ-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H9BrFNO.ClH/c10-6-2-1-5-7(12)3-4-13-9(5)8(6)11;/h1-2,7H,3-4,12H2;1H/t7-;/m0./s1.
What are the key properties of (4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
(4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride has a molecular weight of 282.54 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride is sourced from PubChem (CID 171252194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).