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

C11H16ClFO — CID 146378665

IUPAC2-chloro-3-fluoro-5-(2-methylhexan-2-yl)furan
SMILESCCCCC(C)(C)c1cc(F)c(Cl)o1
InChIInChI=1S/C11H16ClFO/c1-4-5-6-11(2,3)9-7-8(13)10(12)14-9/h7H,4-6H2,1-3H3
InChIKeyYLFKQBZWNMISAA-UHFFFAOYSA-N
MW218.70 g/mol
LogP4.54
Rot. Bonds4

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

2-chloro-3-fluoro-5-(2-methylhexan-2-yl)furan (PubChem CID 146378665) has the molecular formula C11H16ClFO and a molecular weight of 218.70 g/mol. Its IUPAC name is 2-chloro-3-fluoro-5-(2-methylhexan-2-yl)furan.

Molecular Properties

Compound Name2-chloro-3-fluoro-5-(2-methylhexan-2-yl)furan
PubChem CID146378665
Molecular FormulaC11H16ClFO
Molecular Weight218.70 g/mol
Exact Mass218.09
IUPAC Name2-chloro-3-fluoro-5-(2-methylhexan-2-yl)furan
SMILESCCCCC(C)(C)c1cc(F)c(Cl)o1
InChIInChI=1S/C11H16ClFO/c1-4-5-6-11(2,3)9-7-8(13)10(12)14-9/h7H,4-6H2,1-3H3
InChIKeyYLFKQBZWNMISAA-UHFFFAOYSA-N
XLogP4.54
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.70
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one
CID 21767560
6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one
CID 579180
2-(2,6-Dimethylhept-6-en-2-yl)-5-methylfuran
CID 579804
5-Butyl-2-tert-butylfuran
CID 12222121
2-Tert-butyl-5-propylfuran
CID 67150002
2-(3-Chloro-4-fluorophenyl)-5-methylfuran
CID 18338320
2-Butan-2-yl-5-fluorofuran
CID 53677592
3-Tert-butyl-5-(4-chlorophenyl)-2-(trifluoromethyl)furan
CID 59866202
2,5-Ditert-butyl-3-fluorofuran
CID 122449101
2-(3-Chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)furan
CID 122487189
2-(3-Chloro-4-fluorophenyl)-5-ethylfuran
CID 122487992
2-Tert-butyl-5-fluorofuran
CID 141658049

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-5-(2-methylhexan-2-yl)furan?
The IUPAC name of 2-chloro-3-fluoro-5-(2-methylhexan-2-yl)furan (CID 146378665) is 2-chloro-3-fluoro-5-(2-methylhexan-2-yl)furan.
What is the SMILES notation for 2-chloro-3-fluoro-5-(2-methylhexan-2-yl)furan?
The canonical SMILES for 2-chloro-3-fluoro-5-(2-methylhexan-2-yl)furan is CCCCC(C)(C)c1cc(F)c(Cl)o1.
What is the InChIKey of 2-chloro-3-fluoro-5-(2-methylhexan-2-yl)furan?
The InChIKey is YLFKQBZWNMISAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFO/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-chloro-3-fluoro-5-(2-methylhexan-2-yl)furan?
2-chloro-3-fluoro-5-(2-methylhexan-2-yl)furan has a molecular weight of 218.70 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-5-(2-methylhexan-2-yl)furan is sourced from PubChem (CID 146378665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).