3-bromo-4-fluoro-2-(2-methylpentan-2-yl)thiophene

C10H14BrFS — CID 146378255

IUPAC3-bromo-4-fluoro-2-(2-methylpentan-2-yl)thiophene
SMILESCCCC(C)(C)c1scc(F)c1Br
InChIInChI=1S/C10H14BrFS/c1-4-5-10(2,3)9-8(11)7(12)6-13-9/h6H,4-5H2,1-3H3
InChIKeyPBGGGTYARUWIQV-UHFFFAOYSA-N
MW265.19 g/mol
LogP4.73
Rot. Bonds3

About 3-bromo-4-fluoro-2-(2-methylpentan-2-yl)thiophene

3-bromo-4-fluoro-2-(2-methylpentan-2-yl)thiophene (PubChem CID 146378255) has the molecular formula C10H14BrFS and a molecular weight of 265.19 g/mol. Its IUPAC name is 3-bromo-4-fluoro-2-(2-methylpentan-2-yl)thiophene.

Molecular Properties

Compound Name3-bromo-4-fluoro-2-(2-methylpentan-2-yl)thiophene
PubChem CID146378255
Molecular FormulaC10H14BrFS
Molecular Weight265.19 g/mol
Exact Mass264.00
IUPAC Name3-bromo-4-fluoro-2-(2-methylpentan-2-yl)thiophene
SMILESCCCC(C)(C)c1scc(F)c1Br
InChIInChI=1S/C10H14BrFS/c1-4-5-10(2,3)9-8(11)7(12)6-13-9/h6H,4-5H2,1-3H3
InChIKeyPBGGGTYARUWIQV-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-fluoro-5-(2-methylhexan-2-yl)-1,2-thiazole
CID 146378249
3-bromo-4-iodo-2-(6-methyldodecan-6-yl)thiophene
CID 146379342
2-fluoro-5-(2-methylpentan-2-yl)thiophene
CID 146378512
1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 129136157
2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
3-(3-bromothiophen-2-yl)-3-methylbutan-1-amine
CID 80537311
5-fluoro-2-(2-methylpentan-2-yl)pyrimidine
CID 146430890
2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol
CID 22146399
[3,5-difluoro-2-(2-methylpentan-2-yl)phenyl]phosphane
CID 174672200
1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine
CID 65020142
1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine
CID 106273555
2-bromo-4-fluoro-3-(3-methylhexan-3-yl)furan
CID 146378681

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-2-(2-methylpentan-2-yl)thiophene?
The IUPAC name of 3-bromo-4-fluoro-2-(2-methylpentan-2-yl)thiophene (CID 146378255) is 3-bromo-4-fluoro-2-(2-methylpentan-2-yl)thiophene.
What is the SMILES notation for 3-bromo-4-fluoro-2-(2-methylpentan-2-yl)thiophene?
The canonical SMILES for 3-bromo-4-fluoro-2-(2-methylpentan-2-yl)thiophene is CCCC(C)(C)c1scc(F)c1Br.
What is the InChIKey of 3-bromo-4-fluoro-2-(2-methylpentan-2-yl)thiophene?
The InChIKey is PBGGGTYARUWIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFS/c1-4-5-10(2,3)9-8(11)7(12)6-13-9/h6H,4-5H2,1-3H3.
What are the key properties of 3-bromo-4-fluoro-2-(2-methylpentan-2-yl)thiophene?
3-bromo-4-fluoro-2-(2-methylpentan-2-yl)thiophene has a molecular weight of 265.19 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-2-(2-methylpentan-2-yl)thiophene is sourced from PubChem (CID 146378255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).