3-bromo-2-[chloro(cyclopropyl)methyl]thiophene

C8H8BrClS — CID 80536056

IUPAC3-bromo-2-[chloro(cyclopropyl)methyl]thiophene
SMILESClC(c1sccc1Br)C1CC1
InChIInChI=1S/C8H8BrClS/c9-6-3-4-11-8(6)7(10)5-1-2-5/h3-5,7H,1-2H2
InChIKeyFYWRFXUIVLWIIZ-UHFFFAOYSA-N
MW251.58 g/mol
LogP4.20
Rot. Bonds2

About 3-bromo-2-[chloro(cyclopropyl)methyl]thiophene

3-bromo-2-[chloro(cyclopropyl)methyl]thiophene (PubChem CID 80536056) has the molecular formula C8H8BrClS and a molecular weight of 251.58 g/mol. Its IUPAC name is 3-bromo-2-[chloro(cyclopropyl)methyl]thiophene.

Molecular Properties

Compound Name3-bromo-2-[chloro(cyclopropyl)methyl]thiophene
PubChem CID80536056
Molecular FormulaC8H8BrClS
Molecular Weight251.58 g/mol
Exact Mass249.92
IUPAC Name3-bromo-2-[chloro(cyclopropyl)methyl]thiophene
SMILESClC(c1sccc1Br)C1CC1
InChIInChI=1S/C8H8BrClS/c9-6-3-4-11-8(6)7(10)5-1-2-5/h3-5,7H,1-2H2
InChIKeyFYWRFXUIVLWIIZ-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.58
LogP ≤ 54.20
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

3-bromo-2-[chloro-(2-methylcyclopropyl)methyl]thiophene
CID 80535825
3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene
CID 80536031
3-chloro-2-[chloro(cyclobutyl)methyl]thiophene
CID 80530412
3-chloro-2-[chloro(cyclooctyl)methyl]thiophene
CID 80530285
1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83153918
(S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine
CID 130055125
(1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine
CID 130739172
(R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
CID 171211024
3-bromo-2-(1-bromo-2-cyclopentylethyl)thiophene
CID 80536775
3-bromo-2-(1-chloro-2,2,3,3-tetrafluoropropyl)thiophene
CID 80537320
2-[(3-bromothiophen-2-yl)-hydroxymethyl]cyclopentan-1-ol
CID 130360823
3-bromo-2-(1-chloro-2,2-dimethylbutyl)thiophene
CID 80535903

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[chloro(cyclopropyl)methyl]thiophene?
The IUPAC name of 3-bromo-2-[chloro(cyclopropyl)methyl]thiophene (CID 80536056) is 3-bromo-2-[chloro(cyclopropyl)methyl]thiophene.
What is the SMILES notation for 3-bromo-2-[chloro(cyclopropyl)methyl]thiophene?
The canonical SMILES for 3-bromo-2-[chloro(cyclopropyl)methyl]thiophene is ClC(c1sccc1Br)C1CC1.
What is the InChIKey of 3-bromo-2-[chloro(cyclopropyl)methyl]thiophene?
The InChIKey is FYWRFXUIVLWIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClS/c9-6-3-4-11-8(6)7(10)5-1-2-5/h3-5,7H,1-2H2.
What are the key properties of 3-bromo-2-[chloro(cyclopropyl)methyl]thiophene?
3-bromo-2-[chloro(cyclopropyl)methyl]thiophene has a molecular weight of 251.58 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[chloro(cyclopropyl)methyl]thiophene is sourced from PubChem (CID 80536056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).