(4R)-4-(difluoromethyl)oxan-2-one

C6H8F2O2 — CID 159374701

IUPAC(4R)-4-(difluoromethyl)oxan-2-one
SMILESO=C1C[C@H](C(F)F)CCO1
InChIInChI=1S/C6H8F2O2/c7-6(8)4-1-2-10-5(9)3-4/h4,6H,1-3H2/t4-/m1/s1
InChIKeyXLKQBPRJKUBSNX-SCSAIBSYSA-N
MW150.12 g/mol
LogP1.20
Rot. Bonds1

About (4R)-4-(difluoromethyl)oxan-2-one

(4R)-4-(difluoromethyl)oxan-2-one (PubChem CID 159374701) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is (4R)-4-(difluoromethyl)oxan-2-one.

Molecular Properties

Compound Name(4R)-4-(difluoromethyl)oxan-2-one
PubChem CID159374701
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name(4R)-4-(difluoromethyl)oxan-2-one
SMILESO=C1C[C@H](C(F)F)CCO1
InChIInChI=1S/C6H8F2O2/c7-6(8)4-1-2-10-5(9)3-4/h4,6H,1-3H2/t4-/m1/s1
InChIKeyXLKQBPRJKUBSNX-SCSAIBSYSA-N
XLogP1.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R)-4-(difluoromethyl)oxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(difluoromethyl)oxan-2-one?
The IUPAC name of (4R)-4-(difluoromethyl)oxan-2-one (CID 159374701) is (4R)-4-(difluoromethyl)oxan-2-one.
What is the SMILES notation for (4R)-4-(difluoromethyl)oxan-2-one?
The canonical SMILES for (4R)-4-(difluoromethyl)oxan-2-one is O=C1C[C@H](C(F)F)CCO1.
What is the InChIKey of (4R)-4-(difluoromethyl)oxan-2-one?
The InChIKey is XLKQBPRJKUBSNX-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8F2O2/c7-6(8)4-1-2-10-5(9)3-4/h4,6H,1-3H2/t4-/m1/s1.
What are the key properties of (4R)-4-(difluoromethyl)oxan-2-one?
(4R)-4-(difluoromethyl)oxan-2-one has a molecular weight of 150.12 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(difluoromethyl)oxan-2-one is sourced from PubChem (CID 159374701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).