(2R)-3,4-difluoro-2-propyl-2H-furan-5-one

C7H8F2O2 — CID 125489195

IUPAC(2R)-3,4-difluoro-2-propyl-2H-furan-5-one
SMILESCCC[C@H]1OC(=O)C(F)=C1F
InChIInChI=1S/C7H8F2O2/c1-2-3-4-5(8)6(9)7(10)11-4/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyCZJQWXWMDHHULG-SCSAIBSYSA-N
MW162.13 g/mol
LogP1.86
Rot. Bonds2

About (2R)-3,4-difluoro-2-propyl-2H-furan-5-one

(2R)-3,4-difluoro-2-propyl-2H-furan-5-one (PubChem CID 125489195) has the molecular formula C7H8F2O2 and a molecular weight of 162.13 g/mol. Its IUPAC name is (2R)-3,4-difluoro-2-propyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-3,4-difluoro-2-propyl-2H-furan-5-one
PubChem CID125489195
Molecular FormulaC7H8F2O2
Molecular Weight162.13 g/mol
Exact Mass162.05
IUPAC Name(2R)-3,4-difluoro-2-propyl-2H-furan-5-one
SMILESCCC[C@H]1OC(=O)C(F)=C1F
InChIInChI=1S/C7H8F2O2/c1-2-3-4-5(8)6(9)7(10)11-4/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyCZJQWXWMDHHULG-SCSAIBSYSA-N
XLogP1.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.13
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,4-difluoro-2-propyl-2H-furan-5-one?
The IUPAC name of (2R)-3,4-difluoro-2-propyl-2H-furan-5-one (CID 125489195) is (2R)-3,4-difluoro-2-propyl-2H-furan-5-one.
What is the SMILES notation for (2R)-3,4-difluoro-2-propyl-2H-furan-5-one?
The canonical SMILES for (2R)-3,4-difluoro-2-propyl-2H-furan-5-one is CCC[C@H]1OC(=O)C(F)=C1F.
What is the InChIKey of (2R)-3,4-difluoro-2-propyl-2H-furan-5-one?
The InChIKey is CZJQWXWMDHHULG-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H8F2O2/c1-2-3-4-5(8)6(9)7(10)11-4/h4H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-3,4-difluoro-2-propyl-2H-furan-5-one?
(2R)-3,4-difluoro-2-propyl-2H-furan-5-one has a molecular weight of 162.13 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,4-difluoro-2-propyl-2H-furan-5-one is sourced from PubChem (CID 125489195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).