3-bromo-2-(1-chloro-2,2,3,3-tetrafluoropropyl)thiophene

C7H4BrClF4S — CID 80537320

IUPAC3-bromo-2-(1-chloro-2,2,3,3-tetrafluoropropyl)thiophene
SMILESFC(F)C(F)(F)C(Cl)c1sccc1Br
InChIInChI=1S/C7H4BrClF4S/c8-3-1-2-14-4(3)5(9)7(12,13)6(10)11/h1-2,5-6H
InChIKeyMZMYGWMNSNYCII-UHFFFAOYSA-N
MW311.53 g/mol
LogP4.69
Rot. Bonds3

About 3-bromo-2-(1-chloro-2,2,3,3-tetrafluoropropyl)thiophene

3-bromo-2-(1-chloro-2,2,3,3-tetrafluoropropyl)thiophene (PubChem CID 80537320) has the molecular formula C7H4BrClF4S and a molecular weight of 311.53 g/mol. Its IUPAC name is 3-bromo-2-(1-chloro-2,2,3,3-tetrafluoropropyl)thiophene.

Molecular Properties

Compound Name3-bromo-2-(1-chloro-2,2,3,3-tetrafluoropropyl)thiophene
PubChem CID80537320
Molecular FormulaC7H4BrClF4S
Molecular Weight311.53 g/mol
Exact Mass309.88
IUPAC Name3-bromo-2-(1-chloro-2,2,3,3-tetrafluoropropyl)thiophene
SMILESFC(F)C(F)(F)C(Cl)c1sccc1Br
InChIInChI=1S/C7H4BrClF4S/c8-3-1-2-14-4(3)5(9)7(12,13)6(10)11/h1-2,5-6H
InChIKeyMZMYGWMNSNYCII-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.53
LogP ≤ 54.69
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

3-bromo-2-(1-chloro-2,2-dimethylbutyl)thiophene
CID 80535903
1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 80535785
3-bromo-2-[chloro(cyclopropyl)methyl]thiophene
CID 80536056
(1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 131352754
3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene
CID 80536907
[1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215838
1-(3-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine
CID 79016591
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099
3-bromo-2-[chloro-(4-chlorophenyl)methyl]thiophene
CID 63798177
[1-(3-bromothiophen-2-yl)-2,2-difluoroethyl]hydrazine
CID 105265250
[1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206154
3-bromo-2-[(3-bromo-4-fluorophenyl)-chloromethyl]thiophene
CID 79747373

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(1-chloro-2,2,3,3-tetrafluoropropyl)thiophene?
The IUPAC name of 3-bromo-2-(1-chloro-2,2,3,3-tetrafluoropropyl)thiophene (CID 80537320) is 3-bromo-2-(1-chloro-2,2,3,3-tetrafluoropropyl)thiophene.
What is the SMILES notation for 3-bromo-2-(1-chloro-2,2,3,3-tetrafluoropropyl)thiophene?
The canonical SMILES for 3-bromo-2-(1-chloro-2,2,3,3-tetrafluoropropyl)thiophene is FC(F)C(F)(F)C(Cl)c1sccc1Br.
What is the InChIKey of 3-bromo-2-(1-chloro-2,2,3,3-tetrafluoropropyl)thiophene?
The InChIKey is MZMYGWMNSNYCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF4S/c8-3-1-2-14-4(3)5(9)7(12,13)6(10)11/h1-2,5-6H.
What are the key properties of 3-bromo-2-(1-chloro-2,2,3,3-tetrafluoropropyl)thiophene?
3-bromo-2-(1-chloro-2,2,3,3-tetrafluoropropyl)thiophene has a molecular weight of 311.53 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(1-chloro-2,2,3,3-tetrafluoropropyl)thiophene is sourced from PubChem (CID 80537320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).