2-bromo-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene

C14H12BrClS — CID 107964507

IUPAC2-bromo-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene
SMILESClC(c1csc(Br)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H12BrClS/c15-13-7-12(8-17-13)14(16)11-5-4-9-2-1-3-10(9)6-11/h4-8,14H,1-3H2
InChIKeyRNAULXFDJYITSV-UHFFFAOYSA-N
MW327.67 g/mol
LogP5.33
Rot. Bonds2

About 2-bromo-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene

2-bromo-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene (PubChem CID 107964507) has the molecular formula C14H12BrClS and a molecular weight of 327.67 g/mol. Its IUPAC name is 2-bromo-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene
PubChem CID107964507
Molecular FormulaC14H12BrClS
Molecular Weight327.67 g/mol
Exact Mass325.95
IUPAC Name2-bromo-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene
SMILESClC(c1csc(Br)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H12BrClS/c15-13-7-12(8-17-13)14(16)11-5-4-9-2-1-3-10(9)6-11/h4-8,14H,1-3H2
InChIKeyRNAULXFDJYITSV-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.67
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene
CID 114021592
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122
2-bromo-4-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene
CID 107964594
7-[(5-bromothiophen-3-yl)-chloromethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 107964552
5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198708
2-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]thiophene
CID 107964882
6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430631
6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431080
6-[(5-bromothiophen-3-yl)-chloromethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 107964474
5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
2-bromo-4-[(4-tert-butylphenyl)-chloromethyl]thiophene
CID 107964491
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene?
The IUPAC name of 2-bromo-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene (CID 107964507) is 2-bromo-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene.
What is the SMILES notation for 2-bromo-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene?
The canonical SMILES for 2-bromo-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene is ClC(c1csc(Br)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-bromo-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene?
The InChIKey is RNAULXFDJYITSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClS/c15-13-7-12(8-17-13)14(16)11-5-4-9-2-1-3-10(9)6-11/h4-8,14H,1-3H2.
What are the key properties of 2-bromo-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene?
2-bromo-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene has a molecular weight of 327.67 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]thiophene is sourced from PubChem (CID 107964507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).