2,5-dibromo-3-(1-chloro-2,2,3,3,3-pentafluoropropyl)thiophene

C7H2Br2ClF5S — CID 63436219

IUPAC2,5-dibromo-3-(1-chloro-2,2,3,3,3-pentafluoropropyl)thiophene
SMILESFC(F)(F)C(F)(F)C(Cl)c1cc(Br)sc1Br
InChIInChI=1S/C7H2Br2ClF5S/c8-3-1-2(5(9)16-3)4(10)6(11,12)7(13,14)15/h1,4H
InChIKeyJTNMNQDQTXBREF-UHFFFAOYSA-N
MW408.41 g/mol
LogP5.75
Rot. Bonds2

About 2,5-dibromo-3-(1-chloro-2,2,3,3,3-pentafluoropropyl)thiophene

2,5-dibromo-3-(1-chloro-2,2,3,3,3-pentafluoropropyl)thiophene (PubChem CID 63436219) has the molecular formula C7H2Br2ClF5S and a molecular weight of 408.41 g/mol. Its IUPAC name is 2,5-dibromo-3-(1-chloro-2,2,3,3,3-pentafluoropropyl)thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-(1-chloro-2,2,3,3,3-pentafluoropropyl)thiophene
PubChem CID63436219
Molecular FormulaC7H2Br2ClF5S
Molecular Weight408.41 g/mol
Exact Mass405.79
IUPAC Name2,5-dibromo-3-(1-chloro-2,2,3,3,3-pentafluoropropyl)thiophene
SMILESFC(F)(F)C(F)(F)C(Cl)c1cc(Br)sc1Br
InChIInChI=1S/C7H2Br2ClF5S/c8-3-1-2(5(9)16-3)4(10)6(11,12)7(13,14)15/h1,4H
InChIKeyJTNMNQDQTXBREF-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.41
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-3-(1-chloro-2,2-dimethylbutyl)thiophene
CID 63436226
2,5-dibromo-3-[chloro-[4-(trifluoromethoxy)phenyl]methyl]thiophene
CID 116629141
1-bromo-5-chloro-3-(1-chloro-2,2,3,3,3-pentafluoropropyl)-2-methoxybenzene
CID 63431153
2,3-dibromo-5-[chloro-(2,5-dibromothiophen-3-yl)methyl]thiophene
CID 80538783
2,5-dibromo-3-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]thiophene
CID 107333377
2,5-dibromo-3-[(2-bromo-4-fluorophenyl)-chloromethyl]thiophene
CID 55198340
2,5-dibromo-3-(1-chloro-3-methylpentyl)thiophene
CID 114876055
2-bromo-4-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1,3,5-trimethylbenzene
CID 114249301
2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene
CID 55198798
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107961099
2,5-dibromo-3-[chloro-(2-chloro-4,5-dimethoxyphenyl)methyl]thiophene
CID 107964535
(2,5-dibromothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 107968244

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-(1-chloro-2,2,3,3,3-pentafluoropropyl)thiophene?
The IUPAC name of 2,5-dibromo-3-(1-chloro-2,2,3,3,3-pentafluoropropyl)thiophene (CID 63436219) is 2,5-dibromo-3-(1-chloro-2,2,3,3,3-pentafluoropropyl)thiophene.
What is the SMILES notation for 2,5-dibromo-3-(1-chloro-2,2,3,3,3-pentafluoropropyl)thiophene?
The canonical SMILES for 2,5-dibromo-3-(1-chloro-2,2,3,3,3-pentafluoropropyl)thiophene is FC(F)(F)C(F)(F)C(Cl)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-3-(1-chloro-2,2,3,3,3-pentafluoropropyl)thiophene?
The InChIKey is JTNMNQDQTXBREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Br2ClF5S/c8-3-1-2(5(9)16-3)4(10)6(11,12)7(13,14)15/h1,4H.
What are the key properties of 2,5-dibromo-3-(1-chloro-2,2,3,3,3-pentafluoropropyl)thiophene?
2,5-dibromo-3-(1-chloro-2,2,3,3,3-pentafluoropropyl)thiophene has a molecular weight of 408.41 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-(1-chloro-2,2,3,3,3-pentafluoropropyl)thiophene is sourced from PubChem (CID 63436219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).