4-bromo-7-fluoro-2-methyl-1,3-dihydroinden-2-amine

C10H11BrFN — CID 90871907

IUPAC4-bromo-7-fluoro-2-methyl-1,3-dihydroinden-2-amine
SMILESCC1(N)Cc2c(F)ccc(Br)c2C1
InChIInChI=1S/C10H11BrFN/c1-10(13)4-6-7(5-10)9(12)3-2-8(6)11/h2-3H,4-5,13H2,1H3
InChIKeyNSFAOROSVCMBGP-UHFFFAOYSA-N
MW244.11 g/mol
LogP2.40
Rot. Bonds

About 4-bromo-7-fluoro-2-methyl-1,3-dihydroinden-2-amine

4-bromo-7-fluoro-2-methyl-1,3-dihydroinden-2-amine (PubChem CID 90871907) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 4-bromo-7-fluoro-2-methyl-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name4-bromo-7-fluoro-2-methyl-1,3-dihydroinden-2-amine
PubChem CID90871907
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name4-bromo-7-fluoro-2-methyl-1,3-dihydroinden-2-amine
SMILESCC1(N)Cc2c(F)ccc(Br)c2C1
InChIInChI=1S/C10H11BrFN/c1-10(13)4-6-7(5-10)9(12)3-2-8(6)11/h2-3H,4-5,13H2,1H3
InChIKeyNSFAOROSVCMBGP-UHFFFAOYSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-fluoro-2-methyl-1,3-dihydroinden-2-amine?
The IUPAC name of 4-bromo-7-fluoro-2-methyl-1,3-dihydroinden-2-amine (CID 90871907) is 4-bromo-7-fluoro-2-methyl-1,3-dihydroinden-2-amine.
What is the SMILES notation for 4-bromo-7-fluoro-2-methyl-1,3-dihydroinden-2-amine?
The canonical SMILES for 4-bromo-7-fluoro-2-methyl-1,3-dihydroinden-2-amine is CC1(N)Cc2c(F)ccc(Br)c2C1.
What is the InChIKey of 4-bromo-7-fluoro-2-methyl-1,3-dihydroinden-2-amine?
The InChIKey is NSFAOROSVCMBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c1-10(13)4-6-7(5-10)9(12)3-2-8(6)11/h2-3H,4-5,13H2,1H3.
What are the key properties of 4-bromo-7-fluoro-2-methyl-1,3-dihydroinden-2-amine?
4-bromo-7-fluoro-2-methyl-1,3-dihydroinden-2-amine has a molecular weight of 244.11 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-fluoro-2-methyl-1,3-dihydroinden-2-amine is sourced from PubChem (CID 90871907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).