(1R)-6-bromo-4,7-difluoro-3,3-dimethyl-1,2-dihydroinden-1-amine

C11H12BrF2N — CID 79837850

IUPAC(1R)-6-bromo-4,7-difluoro-3,3-dimethyl-1,2-dihydroinden-1-amine
SMILESCC1(C)C[C@@H](N)c2c(F)c(Br)cc(F)c21
InChIInChI=1S/C11H12BrF2N/c1-11(2)4-7(15)8-9(11)6(13)3-5(12)10(8)14/h3,7H,4,15H2,1-2H3/t7-/m1/s1
InChIKeyIEYDUOFYPRUIBE-SSDOTTSWSA-N
MW276.12 g/mol
LogP3.41
Rot. Bonds

About (1R)-6-bromo-4,7-difluoro-3,3-dimethyl-1,2-dihydroinden-1-amine

(1R)-6-bromo-4,7-difluoro-3,3-dimethyl-1,2-dihydroinden-1-amine (PubChem CID 79837850) has the molecular formula C11H12BrF2N and a molecular weight of 276.12 g/mol. Its IUPAC name is (1R)-6-bromo-4,7-difluoro-3,3-dimethyl-1,2-dihydroinden-1-amine.

Molecular Properties

Compound Name(1R)-6-bromo-4,7-difluoro-3,3-dimethyl-1,2-dihydroinden-1-amine
PubChem CID79837850
Molecular FormulaC11H12BrF2N
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name(1R)-6-bromo-4,7-difluoro-3,3-dimethyl-1,2-dihydroinden-1-amine
SMILESCC1(C)C[C@@H](N)c2c(F)c(Br)cc(F)c21
InChIInChI=1S/C11H12BrF2N/c1-11(2)4-7(15)8-9(11)6(13)3-5(12)10(8)14/h3,7H,4,15H2,1-2H3/t7-/m1/s1
InChIKeyIEYDUOFYPRUIBE-SSDOTTSWSA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2,3-dihydro-1H-inden-2-amine
CID 11298795
US10301253, Example 13
CID 105500039
6-Bromo-2,3-dihydro-1H-inden-1-amine
CID 16244315
(1S)-5-bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 57355775
(1R)-6-bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 91828043
6-bromo-1-methyl-2,3-dihydro-1H-inden-1-amine
CID 83756228
(1S)-6-bromo-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 86767649
5'-Bromo-2',3'-dihydrospiro(cyclopropane-1,1'-indene)-3-amine hydrochloride
CID 121605255
5-bromo-7-methyl-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 131697811
(1R)-1-(4-bromo-5-fluoro-2-methylphenyl)ethan-1-amine hydrochloride
CID 132353793
(1S)-1-(4-bromo-5-fluoro-2-methylphenyl)ethan-1-amine hydrochloride
CID 132398629
4-bromo-2,2-difluoro-2,3-dihydro-1H-inden-1-amine
CID 139022647

Frequently Asked Questions

What is the IUPAC name of (1R)-6-bromo-4,7-difluoro-3,3-dimethyl-1,2-dihydroinden-1-amine?
The IUPAC name of (1R)-6-bromo-4,7-difluoro-3,3-dimethyl-1,2-dihydroinden-1-amine (CID 79837850) is (1R)-6-bromo-4,7-difluoro-3,3-dimethyl-1,2-dihydroinden-1-amine.
What is the SMILES notation for (1R)-6-bromo-4,7-difluoro-3,3-dimethyl-1,2-dihydroinden-1-amine?
The canonical SMILES for (1R)-6-bromo-4,7-difluoro-3,3-dimethyl-1,2-dihydroinden-1-amine is CC1(C)C[C@@H](N)c2c(F)c(Br)cc(F)c21.
What is the InChIKey of (1R)-6-bromo-4,7-difluoro-3,3-dimethyl-1,2-dihydroinden-1-amine?
The InChIKey is IEYDUOFYPRUIBE-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12BrF2N/c1-11(2)4-7(15)8-9(11)6(13)3-5(12)10(8)14/h3,7H,4,15H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-6-bromo-4,7-difluoro-3,3-dimethyl-1,2-dihydroinden-1-amine?
(1R)-6-bromo-4,7-difluoro-3,3-dimethyl-1,2-dihydroinden-1-amine has a molecular weight of 276.12 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-bromo-4,7-difluoro-3,3-dimethyl-1,2-dihydroinden-1-amine is sourced from PubChem (CID 79837850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).