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

C11H16F2O2 — CID 125489263

IUPAC(2R)-3,4-difluoro-2-heptyl-2H-furan-5-one
SMILESCCCCCCC[C@H]1OC(=O)C(F)=C1F
InChIInChI=1S/C11H16F2O2/c1-2-3-4-5-6-7-8-9(12)10(13)11(14)15-8/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyOFCOFDBMNGWIRH-MRVPVSSYSA-N
MW218.24 g/mol
LogP3.42
Rot. Bonds6

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

(2R)-3,4-difluoro-2-heptyl-2H-furan-5-one (PubChem CID 125489263) has the molecular formula C11H16F2O2 and a molecular weight of 218.24 g/mol. Its IUPAC name is (2R)-3,4-difluoro-2-heptyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-3,4-difluoro-2-heptyl-2H-furan-5-one
PubChem CID125489263
Molecular FormulaC11H16F2O2
Molecular Weight218.24 g/mol
Exact Mass218.11
IUPAC Name(2R)-3,4-difluoro-2-heptyl-2H-furan-5-one
SMILESCCCCCCC[C@H]1OC(=O)C(F)=C1F
InChIInChI=1S/C11H16F2O2/c1-2-3-4-5-6-7-8-9(12)10(13)11(14)15-8/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyOFCOFDBMNGWIRH-MRVPVSSYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,4-difluoro-2-heptyl-2H-furan-5-one?
The IUPAC name of (2R)-3,4-difluoro-2-heptyl-2H-furan-5-one (CID 125489263) is (2R)-3,4-difluoro-2-heptyl-2H-furan-5-one.
What is the SMILES notation for (2R)-3,4-difluoro-2-heptyl-2H-furan-5-one?
The canonical SMILES for (2R)-3,4-difluoro-2-heptyl-2H-furan-5-one is CCCCCCC[C@H]1OC(=O)C(F)=C1F.
What is the InChIKey of (2R)-3,4-difluoro-2-heptyl-2H-furan-5-one?
The InChIKey is OFCOFDBMNGWIRH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16F2O2/c1-2-3-4-5-6-7-8-9(12)10(13)11(14)15-8/h8H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-3,4-difluoro-2-heptyl-2H-furan-5-one?
(2R)-3,4-difluoro-2-heptyl-2H-furan-5-one has a molecular weight of 218.24 g/mol, XLogP of 3.42, 6 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-heptyl-2H-furan-5-one is sourced from PubChem (CID 125489263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).