1-(1-bromopropyl)-4-fluoro-2,3-dihydro-1H-indene

C12H14BrF — CID 83069594

IUPAC1-(1-bromopropyl)-4-fluoro-2,3-dihydro-1H-indene
SMILESCCC(Br)C1CCc2c(F)cccc21
InChIInChI=1S/C12H14BrF/c1-2-11(13)9-6-7-10-8(9)4-3-5-12(10)14/h3-5,9,11H,2,6-7H2,1H3
InChIKeyJSVVTOANWHEOCP-UHFFFAOYSA-N
MW257.15 g/mol
LogP4.03
Rot. Bonds2

About 1-(1-bromopropyl)-4-fluoro-2,3-dihydro-1H-indene

1-(1-bromopropyl)-4-fluoro-2,3-dihydro-1H-indene (PubChem CID 83069594) has the molecular formula C12H14BrF and a molecular weight of 257.15 g/mol. Its IUPAC name is 1-(1-bromopropyl)-4-fluoro-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-(1-bromopropyl)-4-fluoro-2,3-dihydro-1H-indene
PubChem CID83069594
Molecular FormulaC12H14BrF
Molecular Weight257.15 g/mol
Exact Mass256.03
IUPAC Name1-(1-bromopropyl)-4-fluoro-2,3-dihydro-1H-indene
SMILESCCC(Br)C1CCc2c(F)cccc21
InChIInChI=1S/C12H14BrF/c1-2-11(13)9-6-7-10-8(9)4-3-5-12(10)14/h3-5,9,11H,2,6-7H2,1H3
InChIKeyJSVVTOANWHEOCP-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(1-bromopropyl)-4-fluoro-2,3-dihydro-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 83069908
2-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propan-1-amine
CID 83907555
7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 20642739
1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene
CID 130671865
4-fluoro-N-(3-methylpentan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 79492992
4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine
CID 175262813
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-3-ol
CID 113262785
5-fluoro-1-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115058068
(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
4-fluoro-2,3-dihydro-1H-indene-1-thiol
CID 83070034
4-fluoro-N-hex-5-yn-3-yl-2,3-dihydro-1H-inden-1-amine
CID 115672929

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromopropyl)-4-fluoro-2,3-dihydro-1H-indene?
The IUPAC name of 1-(1-bromopropyl)-4-fluoro-2,3-dihydro-1H-indene (CID 83069594) is 1-(1-bromopropyl)-4-fluoro-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-(1-bromopropyl)-4-fluoro-2,3-dihydro-1H-indene?
The canonical SMILES for 1-(1-bromopropyl)-4-fluoro-2,3-dihydro-1H-indene is CCC(Br)C1CCc2c(F)cccc21.
What is the InChIKey of 1-(1-bromopropyl)-4-fluoro-2,3-dihydro-1H-indene?
The InChIKey is JSVVTOANWHEOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF/c1-2-11(13)9-6-7-10-8(9)4-3-5-12(10)14/h3-5,9,11H,2,6-7H2,1H3.
What are the key properties of 1-(1-bromopropyl)-4-fluoro-2,3-dihydro-1H-indene?
1-(1-bromopropyl)-4-fluoro-2,3-dihydro-1H-indene has a molecular weight of 257.15 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromopropyl)-4-fluoro-2,3-dihydro-1H-indene is sourced from PubChem (CID 83069594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).