2-bromo-3-fluoro-5-(2-methylhexan-2-yl)furan

C11H16BrFO — CID 146378550

IUPAC2-bromo-3-fluoro-5-(2-methylhexan-2-yl)furan
SMILESCCCCC(C)(C)c1cc(F)c(Br)o1
InChIInChI=1S/C11H16BrFO/c1-4-5-6-11(2,3)9-7-8(13)10(12)14-9/h7H,4-6H2,1-3H3
InChIKeyIKSXFGSXZZHEIY-UHFFFAOYSA-N
MW263.15 g/mol
LogP4.65
Rot. Bonds4

About 2-bromo-3-fluoro-5-(2-methylhexan-2-yl)furan

2-bromo-3-fluoro-5-(2-methylhexan-2-yl)furan (PubChem CID 146378550) has the molecular formula C11H16BrFO and a molecular weight of 263.15 g/mol. Its IUPAC name is 2-bromo-3-fluoro-5-(2-methylhexan-2-yl)furan.

Molecular Properties

Compound Name2-bromo-3-fluoro-5-(2-methylhexan-2-yl)furan
PubChem CID146378550
Molecular FormulaC11H16BrFO
Molecular Weight263.15 g/mol
Exact Mass262.04
IUPAC Name2-bromo-3-fluoro-5-(2-methylhexan-2-yl)furan
SMILESCCCCC(C)(C)c1cc(F)c(Br)o1
InChIInChI=1S/C11H16BrFO/c1-4-5-6-11(2,3)9-7-8(13)10(12)14-9/h7H,4-6H2,1-3H3
InChIKeyIKSXFGSXZZHEIY-UHFFFAOYSA-N
XLogP4.65
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.15
LogP ≤ 54.65
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-5-(2-methylhexan-2-yl)furan?
The IUPAC name of 2-bromo-3-fluoro-5-(2-methylhexan-2-yl)furan (CID 146378550) is 2-bromo-3-fluoro-5-(2-methylhexan-2-yl)furan.
What is the SMILES notation for 2-bromo-3-fluoro-5-(2-methylhexan-2-yl)furan?
The canonical SMILES for 2-bromo-3-fluoro-5-(2-methylhexan-2-yl)furan is CCCCC(C)(C)c1cc(F)c(Br)o1.
What is the InChIKey of 2-bromo-3-fluoro-5-(2-methylhexan-2-yl)furan?
The InChIKey is IKSXFGSXZZHEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFO/c1-4-5-6-11(2,3)9-7-8(13)10(12)14-9/h7H,4-6H2,1-3H3.
What are the key properties of 2-bromo-3-fluoro-5-(2-methylhexan-2-yl)furan?
2-bromo-3-fluoro-5-(2-methylhexan-2-yl)furan has a molecular weight of 263.15 g/mol, XLogP of 4.65, 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-5-(2-methylhexan-2-yl)furan is sourced from PubChem (CID 146378550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).