(4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride

C9H9BrClF2NO — CID 171252186

IUPAC(4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCl.N[C@H]1CCOc2c1cc(Br)c(F)c2F
InChIInChI=1S/C9H8BrF2NO.ClH/c10-5-3-4-6(13)1-2-14-9(4)8(12)7(5)11;/h3,6H,1-2,13H2;1H/t6-;/m0./s1
InChIKeySUCVJIZORMQJTN-RGMNGODLSA-N
MW300.53 g/mol
LogP2.93
Rot. Bonds

About (4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride

(4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride (PubChem CID 171252186) has the molecular formula C9H9BrClF2NO and a molecular weight of 300.53 g/mol. Its IUPAC name is (4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride.

Molecular Properties

Compound Name(4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
PubChem CID171252186
Molecular FormulaC9H9BrClF2NO
Molecular Weight300.53 g/mol
Exact Mass298.95
IUPAC Name(4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCl.N[C@H]1CCOc2c1cc(Br)c(F)c2F
InChIInChI=1S/C9H8BrF2NO.ClH/c10-5-3-4-6(13)1-2-14-9(4)8(12)7(5)11;/h3,6H,1-2,13H2;1H/t6-;/m0./s1
InChIKeySUCVJIZORMQJTN-RGMNGODLSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252194
(4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252356
(4R)-6,8-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 67303952
(4S)-8-bromo-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252127
(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
(4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 103693937
(4R)-8-bromo-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine
CID 131380800
6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55293947
4-amino-8-fluoro-3,4-dihydro-2H-chromen-6-ol
CID 55294990

Frequently Asked Questions

What is the IUPAC name of (4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The IUPAC name of (4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride (CID 171252186) is (4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride.
What is the SMILES notation for (4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The canonical SMILES for (4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride is Cl.N[C@H]1CCOc2c1cc(Br)c(F)c2F.
What is the InChIKey of (4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The InChIKey is SUCVJIZORMQJTN-RGMNGODLSA-N. The full InChI is InChI=1S/C9H8BrF2NO.ClH/c10-5-3-4-6(13)1-2-14-9(4)8(12)7(5)11;/h3,6H,1-2,13H2;1H/t6-;/m0./s1.
What are the key properties of (4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
(4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride has a molecular weight of 300.53 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride is sourced from PubChem (CID 171252186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).