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

C11H16BrFO — CID 146378681

IUPAC2-bromo-4-fluoro-3-(3-methylhexan-3-yl)furan
SMILESCCCC(C)(CC)c1c(F)coc1Br
InChIInChI=1S/C11H16BrFO/c1-4-6-11(3,5-2)9-8(13)7-14-10(9)12/h7H,4-6H2,1-3H3
InChIKeyKCFPYCKIEDQIII-UHFFFAOYSA-N
MW263.15 g/mol
LogP4.65
Rot. Bonds4

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

2-bromo-4-fluoro-3-(3-methylhexan-3-yl)furan (PubChem CID 146378681) has the molecular formula C11H16BrFO and a molecular weight of 263.15 g/mol. Its IUPAC name is 2-bromo-4-fluoro-3-(3-methylhexan-3-yl)furan.

Molecular Properties

Compound Name2-bromo-4-fluoro-3-(3-methylhexan-3-yl)furan
PubChem CID146378681
Molecular FormulaC11H16BrFO
Molecular Weight263.15 g/mol
Exact Mass262.04
IUPAC Name2-bromo-4-fluoro-3-(3-methylhexan-3-yl)furan
SMILESCCCC(C)(CC)c1c(F)coc1Br
InChIInChI=1S/C11H16BrFO/c1-4-6-11(3,5-2)9-8(13)7-14-10(9)12/h7H,4-6H2,1-3H3
InChIKeyKCFPYCKIEDQIII-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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Related Compounds

1,2,4,5-tetrafluoro-3,6-bis(3-methylhexan-3-yl)benzene
CID 89419945
2-fluoro-3-(3-methylhexan-3-yl)furan
CID 146378632
3-ethyl-5-fluoro-1-methyl-4-(3-methylhexan-3-yl)pyrazole
CID 126510250
3,4-difluoro-2-(2-methylhexan-2-yl)furan
CID 146378479
5-bromo-2-fluoro-4-(4-methyloctan-4-yl)-1,3-oxazole
CID 146378755
3-bromo-2-tert-butyl-4-fluorofuran
CID 152901299
4-(3-bromo-2,6-difluorophenyl)heptan-4-ol
CID 106941520
4-(2,6-difluorophenyl)heptan-4-ol
CID 114865715
3-bromo-3-methylhexane
CID 19851237
3-bromo-4-fluoro-2-(2-methylpentan-2-yl)thiophene
CID 146378255
5-methyl-2-(3-methylhexan-3-yl)pyridine
CID 170075857
2-fluoro-3-methoxy-4-(3-methylhexan-3-yl)thiophene
CID 146376962

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-3-(3-methylhexan-3-yl)furan?
The IUPAC name of 2-bromo-4-fluoro-3-(3-methylhexan-3-yl)furan (CID 146378681) is 2-bromo-4-fluoro-3-(3-methylhexan-3-yl)furan.
What is the SMILES notation for 2-bromo-4-fluoro-3-(3-methylhexan-3-yl)furan?
The canonical SMILES for 2-bromo-4-fluoro-3-(3-methylhexan-3-yl)furan is CCCC(C)(CC)c1c(F)coc1Br.
What is the InChIKey of 2-bromo-4-fluoro-3-(3-methylhexan-3-yl)furan?
The InChIKey is KCFPYCKIEDQIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFO/c1-4-6-11(3,5-2)9-8(13)7-14-10(9)12/h7H,4-6H2,1-3H3.
What are the key properties of 2-bromo-4-fluoro-3-(3-methylhexan-3-yl)furan?
2-bromo-4-fluoro-3-(3-methylhexan-3-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-4-fluoro-3-(3-methylhexan-3-yl)furan is sourced from PubChem (CID 146378681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).