6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine

C11H12BrF2NO — CID 115405791

IUPAC6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESFC(F)CNC1CCOc2ccc(Br)cc21
InChIInChI=1S/C11H12BrF2NO/c12-7-1-2-10-8(5-7)9(3-4-16-10)15-6-11(13)14/h1-2,5,9,11,15H,3-4,6H2
InChIKeyQTRIRWIQGZXSKE-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.13
Rot. Bonds3

About 6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 115405791) has the molecular formula C11H12BrF2NO and a molecular weight of 292.12 g/mol. Its IUPAC name is 6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID115405791
Molecular FormulaC11H12BrF2NO
Molecular Weight292.12 g/mol
Exact Mass291.01
IUPAC Name6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESFC(F)CNC1CCOc2ccc(Br)cc21
InChIInChI=1S/C11H12BrF2NO/c12-7-1-2-10-8(5-7)9(3-4-16-10)15-6-11(13)14/h1-2,5,9,11,15H,3-4,6H2
InChIKeyQTRIRWIQGZXSKE-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103778612
1-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]pentan-2-ol
CID 115719269
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine
CID 43755416
N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine
CID 43757033
6-bromo-N-[(5-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 54900398
6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 63450747
6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769329
6-bromo-N-[(E)-pent-3-enyl]-3,4-dihydro-2H-chromen-4-amine
CID 115890026
4-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 103787509
2-[[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 103904595
2-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 115920100

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine (CID 115405791) is 6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine is FC(F)CNC1CCOc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is QTRIRWIQGZXSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO/c12-7-1-2-10-8(5-7)9(3-4-16-10)15-6-11(13)14/h1-2,5,9,11,15H,3-4,6H2.
What are the key properties of 6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 292.12 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 115405791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).