5-bromo-2-(trifluoromethyl)thiophene-3-carbonitrile

C6HBrF3NS — CID 121229208

IUPAC5-bromo-2-(trifluoromethyl)thiophene-3-carbonitrile
SMILESN#Cc1cc(Br)sc1C(F)(F)F
InChIInChI=1S/C6HBrF3NS/c7-4-1-3(2-11)5(12-4)6(8,9)10/h1H
InChIKeyPVYCTFJCBGDWST-UHFFFAOYSA-N
MW256.05 g/mol
LogP3.40
Rot. Bonds

About 5-bromo-2-(trifluoromethyl)thiophene-3-carbonitrile

5-bromo-2-(trifluoromethyl)thiophene-3-carbonitrile (PubChem CID 121229208) has the molecular formula C6HBrF3NS and a molecular weight of 256.05 g/mol. Its IUPAC name is 5-bromo-2-(trifluoromethyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-(trifluoromethyl)thiophene-3-carbonitrile
PubChem CID121229208
Molecular FormulaC6HBrF3NS
Molecular Weight256.05 g/mol
Exact Mass254.90
IUPAC Name5-bromo-2-(trifluoromethyl)thiophene-3-carbonitrile
SMILESN#Cc1cc(Br)sc1C(F)(F)F
InChIInChI=1S/C6HBrF3NS/c7-4-1-3(2-11)5(12-4)6(8,9)10/h1H
InChIKeyPVYCTFJCBGDWST-UHFFFAOYSA-N
XLogP3.40
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.05
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,5-bis(trifluoromethyl)benzonitrile
CID 119007564
5-bromo-2-(trifluoromethyl)benzonitrile
CID 50998133
4,6-bis(trifluoromethyl)thieno[2,3-c]thiophene-2-carbonitrile
CID 131986514
5-bromothieno[2,3-b]thiophene-3-carbonitrile
CID 133059565
2-bromo-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile
CID 119014075
N-[2-bromo-4-cyano-5-(trifluoromethyl)phenyl]formamide
CID 168651471
1-(5-bromo-3-cyanothiophen-2-yl)-3-methylurea
CID 46941518
5-bromo-3-(trifluoromethyl)thiophene-2-carbaldehyde
CID 82380305
5-(cyanomethyl)-2-(trifluoromethyl)benzene-1,3-dicarbonitrile
CID 166914554
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-5-(trifluoromethyl)benzonitrile
CID 112556246
4-bromo-2-fluoro-3-(trifluoromethyl)benzonitrile
CID 131354783
2-bromo-3-fluoro-4-(trifluoromethyl)benzonitrile
CID 169337100

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(trifluoromethyl)thiophene-3-carbonitrile?
The IUPAC name of 5-bromo-2-(trifluoromethyl)thiophene-3-carbonitrile (CID 121229208) is 5-bromo-2-(trifluoromethyl)thiophene-3-carbonitrile.
What is the SMILES notation for 5-bromo-2-(trifluoromethyl)thiophene-3-carbonitrile?
The canonical SMILES for 5-bromo-2-(trifluoromethyl)thiophene-3-carbonitrile is N#Cc1cc(Br)sc1C(F)(F)F.
What is the InChIKey of 5-bromo-2-(trifluoromethyl)thiophene-3-carbonitrile?
The InChIKey is PVYCTFJCBGDWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrF3NS/c7-4-1-3(2-11)5(12-4)6(8,9)10/h1H.
What are the key properties of 5-bromo-2-(trifluoromethyl)thiophene-3-carbonitrile?
5-bromo-2-(trifluoromethyl)thiophene-3-carbonitrile has a molecular weight of 256.05 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(trifluoromethyl)thiophene-3-carbonitrile is sourced from PubChem (CID 121229208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).