4-bromo-2,2-difluoro-1,3-dihydroinden-1-amine

C9H8BrF2N — CID 139022647

IUPAC4-bromo-2,2-difluoro-1,3-dihydroinden-1-amine
SMILESNC1c2cccc(Br)c2CC1(F)F
InChIInChI=1S/C9H8BrF2N/c10-7-3-1-2-5-6(7)4-9(11,12)8(5)13/h1-3,8H,4,13H2
InChIKeyLALLDCNBFLFZEB-UHFFFAOYSA-N
MW248.07 g/mol
LogP2.64
Rot. Bonds

About 4-bromo-2,2-difluoro-1,3-dihydroinden-1-amine

4-bromo-2,2-difluoro-1,3-dihydroinden-1-amine (PubChem CID 139022647) has the molecular formula C9H8BrF2N and a molecular weight of 248.07 g/mol. Its IUPAC name is 4-bromo-2,2-difluoro-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name4-bromo-2,2-difluoro-1,3-dihydroinden-1-amine
PubChem CID139022647
Molecular FormulaC9H8BrF2N
Molecular Weight248.07 g/mol
Exact Mass246.98
IUPAC Name4-bromo-2,2-difluoro-1,3-dihydroinden-1-amine
SMILESNC1c2cccc(Br)c2CC1(F)F
InChIInChI=1S/C9H8BrF2N/c10-7-3-1-2-5-6(7)4-9(11,12)8(5)13/h1-3,8H,4,13H2
InChIKeyLALLDCNBFLFZEB-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,2-difluoro-1,3-dihydroinden-1-amine?
The IUPAC name of 4-bromo-2,2-difluoro-1,3-dihydroinden-1-amine (CID 139022647) is 4-bromo-2,2-difluoro-1,3-dihydroinden-1-amine.
What is the SMILES notation for 4-bromo-2,2-difluoro-1,3-dihydroinden-1-amine?
The canonical SMILES for 4-bromo-2,2-difluoro-1,3-dihydroinden-1-amine is NC1c2cccc(Br)c2CC1(F)F.
What is the InChIKey of 4-bromo-2,2-difluoro-1,3-dihydroinden-1-amine?
The InChIKey is LALLDCNBFLFZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2N/c10-7-3-1-2-5-6(7)4-9(11,12)8(5)13/h1-3,8H,4,13H2.
What are the key properties of 4-bromo-2,2-difluoro-1,3-dihydroinden-1-amine?
4-bromo-2,2-difluoro-1,3-dihydroinden-1-amine has a molecular weight of 248.07 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,2-difluoro-1,3-dihydroinden-1-amine is sourced from PubChem (CID 139022647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).