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

C11H16BrFS — CID 146379338

IUPAC2-bromo-3-fluoro-4-(2-methylhexan-2-yl)thiophene
SMILESCCCCC(C)(C)c1csc(Br)c1F
InChIInChI=1S/C11H16BrFS/c1-4-5-6-11(2,3)8-7-14-10(12)9(8)13/h7H,4-6H2,1-3H3
InChIKeyPEZARPKSFPWCSV-UHFFFAOYSA-N
MW279.22 g/mol
LogP5.12
Rot. Bonds4

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

2-bromo-3-fluoro-4-(2-methylhexan-2-yl)thiophene (PubChem CID 146379338) has the molecular formula C11H16BrFS and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-bromo-3-fluoro-4-(2-methylhexan-2-yl)thiophene.

Molecular Properties

Compound Name2-bromo-3-fluoro-4-(2-methylhexan-2-yl)thiophene
PubChem CID146379338
Molecular FormulaC11H16BrFS
Molecular Weight279.22 g/mol
Exact Mass278.01
IUPAC Name2-bromo-3-fluoro-4-(2-methylhexan-2-yl)thiophene
SMILESCCCCC(C)(C)c1csc(Br)c1F
InChIInChI=1S/C11H16BrFS/c1-4-5-6-11(2,3)8-7-14-10(12)9(8)13/h7H,4-6H2,1-3H3
InChIKeyPEZARPKSFPWCSV-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.22
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-4-(2-methylhexan-2-yl)thiophene?
The IUPAC name of 2-bromo-3-fluoro-4-(2-methylhexan-2-yl)thiophene (CID 146379338) is 2-bromo-3-fluoro-4-(2-methylhexan-2-yl)thiophene.
What is the SMILES notation for 2-bromo-3-fluoro-4-(2-methylhexan-2-yl)thiophene?
The canonical SMILES for 2-bromo-3-fluoro-4-(2-methylhexan-2-yl)thiophene is CCCCC(C)(C)c1csc(Br)c1F.
What is the InChIKey of 2-bromo-3-fluoro-4-(2-methylhexan-2-yl)thiophene?
The InChIKey is PEZARPKSFPWCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFS/c1-4-5-6-11(2,3)8-7-14-10(12)9(8)13/h7H,4-6H2,1-3H3.
What are the key properties of 2-bromo-3-fluoro-4-(2-methylhexan-2-yl)thiophene?
2-bromo-3-fluoro-4-(2-methylhexan-2-yl)thiophene has a molecular weight of 279.22 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-4-(2-methylhexan-2-yl)thiophene is sourced from PubChem (CID 146379338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).