3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene

C7H5BrCl2F2S — CID 130605196

IUPAC3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene
SMILESCC(F)(F)C(Cl)c1cc(Br)c(Cl)s1
InChIInChI=1S/C7H5BrCl2F2S/c1-7(11,12)5(9)4-2-3(8)6(10)13-4/h2,5H,1H3
InChIKeyGNNHAEZWVJEZHM-UHFFFAOYSA-N
MW309.99 g/mol
LogP5.10
Rot. Bonds2

About 3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene

3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene (PubChem CID 130605196) has the molecular formula C7H5BrCl2F2S and a molecular weight of 309.99 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene.

Molecular Properties

Compound Name3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene
PubChem CID130605196
Molecular FormulaC7H5BrCl2F2S
Molecular Weight309.99 g/mol
Exact Mass307.86
IUPAC Name3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene
SMILESCC(F)(F)C(Cl)c1cc(Br)c(Cl)s1
InChIInChI=1S/C7H5BrCl2F2S/c1-7(11,12)5(9)4-2-3(8)6(10)13-4/h2,5H,1H3
InChIKeyGNNHAEZWVJEZHM-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.99
LogP ≤ 55.10
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-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene
CID 102837073
1-(4-bromo-5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 102828379
1-(4-bromo-5-chlorothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine
CID 102828109
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene
CID 103514684
2,3-dibromo-5-(1-chloro-2,2-dimethylpropyl)thiophene
CID 80534293
3-bromo-2-chloro-5-(1-chlorobutyl)thiophene
CID 102836404
1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 102828241
1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine
CID 102828282
2-(4-bromo-5-chlorothiophen-2-yl)-2-chloroacetonitrile
CID 102843698
1-(4-bromo-5-chlorothiophen-2-yl)-N,2,2-trimethylbutan-1-amine
CID 102828223
2-chloro-5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-3-methylthiophene
CID 102764813
3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene
CID 107965054

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene?
The IUPAC name of 3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene (CID 130605196) is 3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene.
What is the SMILES notation for 3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene?
The canonical SMILES for 3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene is CC(F)(F)C(Cl)c1cc(Br)c(Cl)s1.
What is the InChIKey of 3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene?
The InChIKey is GNNHAEZWVJEZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2F2S/c1-7(11,12)5(9)4-2-3(8)6(10)13-4/h2,5H,1H3.
What are the key properties of 3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene?
3-bromo-2-chloro-5-(1-chloro-2,2-difluoropropyl)thiophene has a molecular weight of 309.99 g/mol, XLogP of 5.10, 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-5-(1-chloro-2,2-difluoropropyl)thiophene is sourced from PubChem (CID 130605196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).