5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene

C19H20BrF — CID 66041314

IUPAC5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene
SMILESFc1cccc(CC(CBr)Cc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C19H20BrF/c20-13-16(9-14-3-1-6-19(21)12-14)10-15-7-8-17-4-2-5-18(17)11-15/h1,3,6-8,11-12,16H,2,4-5,9-10,13H2
InChIKeyZJNXLKGNWCALKN-UHFFFAOYSA-N
MW347.27 g/mol
LogP5.11
Rot. Bonds5

About 5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene

5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene (PubChem CID 66041314) has the molecular formula C19H20BrF and a molecular weight of 347.27 g/mol. Its IUPAC name is 5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene
PubChem CID66041314
Molecular FormulaC19H20BrF
Molecular Weight347.27 g/mol
Exact Mass346.07
IUPAC Name5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene
SMILESFc1cccc(CC(CBr)Cc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C19H20BrF/c20-13-16(9-14-3-1-6-19(21)12-14)10-15-7-8-17-4-2-5-18(17)11-15/h1,3,6-8,11-12,16H,2,4-5,9-10,13H2
InChIKeyZJNXLKGNWCALKN-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.27
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2-benzyl-3-bromopropyl)-3-fluorobenzene
CID 66047635
1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-4-methylbenzene
CID 66041066
2-[(3-fluorophenyl)methyl]-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 67868038
5-[3-chloro-2-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene
CID 79433976
1-(2,3-dihydro-1H-inden-5-yl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834039
5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene
CID 79454542
1-(2,2-dibromoethyl)-3-fluorobenzene
CID 89414969
1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene
CID 66041110
1-(2-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803383
1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol
CID 115803489
5-(3-fluorophenyl)-2,3-dihydro-1H-indene
CID 54342765
1-[2-(bromomethyl)-4-propan-2-ylsulfonylbutyl]-3-fluorobenzene
CID 106734626

Frequently Asked Questions

What is the IUPAC name of 5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene (CID 66041314) is 5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene is Fc1cccc(CC(CBr)Cc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene?
The InChIKey is ZJNXLKGNWCALKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrF/c20-13-16(9-14-3-1-6-19(21)12-14)10-15-7-8-17-4-2-5-18(17)11-15/h1,3,6-8,11-12,16H,2,4-5,9-10,13H2.
What are the key properties of 5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene?
5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene has a molecular weight of 347.27 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 66041314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).