2-butyl-3,4-dichloro-2H-furan-5-one

C8H10Cl2O2 — CID 155934790

IUPAC2-butyl-3,4-dichloro-2H-furan-5-one
SMILESCCCCC1OC(=O)C(Cl)=C1Cl
InChIInChI=1S/C8H10Cl2O2/c1-2-3-4-5-6(9)7(10)8(11)12-5/h5H,2-4H2,1H3
InChIKeyQDHDSSGZPXBRFY-UHFFFAOYSA-N
MW209.07 g/mol
LogP2.79
Rot. Bonds3

About 2-butyl-3,4-dichloro-2H-furan-5-one

2-butyl-3,4-dichloro-2H-furan-5-one (PubChem CID 155934790) has the molecular formula C8H10Cl2O2 and a molecular weight of 209.07 g/mol. Its IUPAC name is 2-butyl-3,4-dichloro-2H-furan-5-one.

Molecular Properties

Compound Name2-butyl-3,4-dichloro-2H-furan-5-one
PubChem CID155934790
Molecular FormulaC8H10Cl2O2
Molecular Weight209.07 g/mol
Exact Mass208.01
IUPAC Name2-butyl-3,4-dichloro-2H-furan-5-one
SMILESCCCCC1OC(=O)C(Cl)=C1Cl
InChIInChI=1S/C8H10Cl2O2/c1-2-3-4-5-6(9)7(10)8(11)12-5/h5H,2-4H2,1H3
InChIKeyQDHDSSGZPXBRFY-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.07
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2(5H)-Furanone, 3,4-dichloro-5-(2-methyl-2-propenyl)-
CID 11321712
(2R)-3-chloro-4-methyl-2-pentyl-2H-furan-5-one
CID 68176246
2-butyl-3-chloro-4-propyl-2H-furan-5-one
CID 11356381
3-chloro-5-ethyl-4-propyl-2(5H)-furanone
CID 14866648

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3,4-dichloro-2H-furan-5-one?
The IUPAC name of 2-butyl-3,4-dichloro-2H-furan-5-one (CID 155934790) is 2-butyl-3,4-dichloro-2H-furan-5-one.
What is the SMILES notation for 2-butyl-3,4-dichloro-2H-furan-5-one?
The canonical SMILES for 2-butyl-3,4-dichloro-2H-furan-5-one is CCCCC1OC(=O)C(Cl)=C1Cl.
What is the InChIKey of 2-butyl-3,4-dichloro-2H-furan-5-one?
The InChIKey is QDHDSSGZPXBRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2O2/c1-2-3-4-5-6(9)7(10)8(11)12-5/h5H,2-4H2,1H3.
What are the key properties of 2-butyl-3,4-dichloro-2H-furan-5-one?
2-butyl-3,4-dichloro-2H-furan-5-one has a molecular weight of 209.07 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3,4-dichloro-2H-furan-5-one is sourced from PubChem (CID 155934790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).