(5R)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one

C7H7F3O2 — CID 166159239

IUPAC(5R)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one
SMILESCC1=CC(=O)O[C@@]1(C)C(F)(F)F
InChIInChI=1S/C7H7F3O2/c1-4-3-5(11)12-6(4,2)7(8,9)10/h3H,1-2H3/t6-/m1/s1
InChIKeyPLRKCGKUWTXEFG-ZCFIWIBFSA-N
MW180.12 g/mol
LogP1.81
Rot. Bonds

About (5R)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one

(5R)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one (PubChem CID 166159239) has the molecular formula C7H7F3O2 and a molecular weight of 180.12 g/mol. Its IUPAC name is (5R)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one.

Molecular Properties

Compound Name(5R)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one
PubChem CID166159239
Molecular FormulaC7H7F3O2
Molecular Weight180.12 g/mol
Exact Mass180.04
IUPAC Name(5R)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one
SMILESCC1=CC(=O)O[C@@]1(C)C(F)(F)F
InChIInChI=1S/C7H7F3O2/c1-4-3-5(11)12-6(4,2)7(8,9)10/h3H,1-2H3/t6-/m1/s1
InChIKeyPLRKCGKUWTXEFG-ZCFIWIBFSA-N
XLogP1.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one?
The IUPAC name of (5R)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one (CID 166159239) is (5R)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one.
What is the SMILES notation for (5R)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one?
The canonical SMILES for (5R)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one is CC1=CC(=O)O[C@@]1(C)C(F)(F)F.
What is the InChIKey of (5R)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one?
The InChIKey is PLRKCGKUWTXEFG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H7F3O2/c1-4-3-5(11)12-6(4,2)7(8,9)10/h3H,1-2H3/t6-/m1/s1.
What are the key properties of (5R)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one?
(5R)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one has a molecular weight of 180.12 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one is sourced from PubChem (CID 166159239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).