(4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine

C13H11BrFNOS — CID 104947998

IUPAC(4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2ccc(Br)s2)Oc2cc(F)ccc21
InChIInChI=1S/C13H11BrFNOS/c14-13-4-3-12(18-13)11-6-9(16)8-2-1-7(15)5-10(8)17-11/h1-5,9,11H,6,16H2/t9-,11?/m1/s1
InChIKeyVLQQATJFTMQGNF-BFHBGLAWSA-N
MW328.21 g/mol
LogP4.17
Rot. Bonds1

About (4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine

(4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104947998) has the molecular formula C13H11BrFNOS and a molecular weight of 328.21 g/mol. Its IUPAC name is (4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
PubChem CID104947998
Molecular FormulaC13H11BrFNOS
Molecular Weight328.21 g/mol
Exact Mass326.97
IUPAC Name(4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2ccc(Br)s2)Oc2cc(F)ccc21
InChIInChI=1S/C13H11BrFNOS/c14-13-4-3-12(18-13)11-6-9(16)8-2-1-7(15)5-10(8)17-11/h1-5,9,11H,6,16H2/t9-,11?/m1/s1
InChIKeyVLQQATJFTMQGNF-BFHBGLAWSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945569
2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715828
(4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 102846179
(4S)-2-(5-bromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946500
2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 106534742
2-(5-bromothiophen-2-yl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710588
2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710248
(4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947651
(4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947762
(4S)-2-(2,3-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947604
(4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945572
(4R)-2-(2,3-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947901

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine (CID 104947998) is (4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CC(c2ccc(Br)s2)Oc2cc(F)ccc21.
What is the InChIKey of (4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VLQQATJFTMQGNF-BFHBGLAWSA-N. The full InChI is InChI=1S/C13H11BrFNOS/c14-13-4-3-12(18-13)11-6-9(16)8-2-1-7(15)5-10(8)17-11/h1-5,9,11H,6,16H2/t9-,11?/m1/s1.
What are the key properties of (4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 328.21 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104947998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).