4-bromo-2-[cyclopropyl(difluoro)methyl]thiophene

C8H7BrF2S — CID 116841703

IUPAC4-bromo-2-[cyclopropyl(difluoro)methyl]thiophene
SMILESFC(F)(c1cc(Br)cs1)C1CC1
InChIInChI=1S/C8H7BrF2S/c9-6-3-7(12-4-6)8(10,11)5-1-2-5/h3-5H,1-2H2
InChIKeyHCZHYNXRUQBULJ-UHFFFAOYSA-N
MW253.11 g/mol
LogP4.01
Rot. Bonds2

About 4-bromo-2-[cyclopropyl(difluoro)methyl]thiophene

4-bromo-2-[cyclopropyl(difluoro)methyl]thiophene (PubChem CID 116841703) has the molecular formula C8H7BrF2S and a molecular weight of 253.11 g/mol. Its IUPAC name is 4-bromo-2-[cyclopropyl(difluoro)methyl]thiophene.

Molecular Properties

Compound Name4-bromo-2-[cyclopropyl(difluoro)methyl]thiophene
PubChem CID116841703
Molecular FormulaC8H7BrF2S
Molecular Weight253.11 g/mol
Exact Mass251.94
IUPAC Name4-bromo-2-[cyclopropyl(difluoro)methyl]thiophene
SMILESFC(F)(c1cc(Br)cs1)C1CC1
InChIInChI=1S/C8H7BrF2S/c9-6-3-7(12-4-6)8(10,11)5-1-2-5/h3-5H,1-2H2
InChIKeyHCZHYNXRUQBULJ-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.11
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-bromo-2-[cyclopropyl(difluoro)methyl]thiophene 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

2-[(4-bromothiophen-2-yl)-difluoromethyl]piperidine
CID 116839192
2-(4-bromothiophen-2-yl)-2,2-difluoroacetaldehyde
CID 87456862
4-bromo-2-tert-butylthiophene
CID 20594406
N-[1-(4-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 107167232
4-[(4-bromothiophen-2-yl)-difluoromethyl]benzoic acid
CID 116839967
2-[(4-bromothiophen-2-yl)methylamino]-2-cyclopropylpropan-1-ol
CID 115685147
3-(4-bromothiophen-2-yl)pentan-3-ol
CID 58599650
2-(4-bromothiophen-2-yl)-2-methylpropanenitrile
CID 83711404
4-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]cyclohexane-1,4-diamine
CID 115149941
ethyl 2-(4-bromothiophen-2-yl)-2,2-difluoroacetate
CID 166132555
1-(4-bromothiophen-2-yl)-2-cyclopropylbutan-2-ol
CID 65153708
2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 115210070

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[cyclopropyl(difluoro)methyl]thiophene?
The IUPAC name of 4-bromo-2-[cyclopropyl(difluoro)methyl]thiophene (CID 116841703) is 4-bromo-2-[cyclopropyl(difluoro)methyl]thiophene.
What is the SMILES notation for 4-bromo-2-[cyclopropyl(difluoro)methyl]thiophene?
The canonical SMILES for 4-bromo-2-[cyclopropyl(difluoro)methyl]thiophene is FC(F)(c1cc(Br)cs1)C1CC1.
What is the InChIKey of 4-bromo-2-[cyclopropyl(difluoro)methyl]thiophene?
The InChIKey is HCZHYNXRUQBULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2S/c9-6-3-7(12-4-6)8(10,11)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 4-bromo-2-[cyclopropyl(difluoro)methyl]thiophene?
4-bromo-2-[cyclopropyl(difluoro)methyl]thiophene has a molecular weight of 253.11 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[cyclopropyl(difluoro)methyl]thiophene is sourced from PubChem (CID 116841703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).