(3R,4R)-3-deuterio-3-(4-fluorophenyl)-4-phenyl-6-(trifluoromethyl)-4H-pyran-2-one

C18H12F4O2 — CID 102110257

IUPAC(3R,4R)-3-deuterio-3-(4-fluorophenyl)-4-phenyl-6-(trifluoromethyl)-4H-pyran-2-one
SMILES[2H][C@@]1(c2ccc(F)cc2)C(=O)OC(C(F)(F)F)=C[C@H]1c1ccccc1
InChIInChI=1S/C18H12F4O2/c19-13-8-6-12(7-9-13)16-14(11-4-2-1-3-5-11)10-15(18(20,21)22)24-17(16)23/h1-10,14,16H/t14-,16-/m0/s1/i16D
InChIKeyKZPZILSYFKTPOP-BJGTTZOMSA-N
MW337.29 g/mol
LogP4.70
Rot. Bonds2

About (3R,4R)-3-deuterio-3-(4-fluorophenyl)-4-phenyl-6-(trifluoromethyl)-4H-pyran-2-one

(3R,4R)-3-deuterio-3-(4-fluorophenyl)-4-phenyl-6-(trifluoromethyl)-4H-pyran-2-one (PubChem CID 102110257) has the molecular formula C18H12F4O2 and a molecular weight of 337.29 g/mol. Its IUPAC name is (3R,4R)-3-deuterio-3-(4-fluorophenyl)-4-phenyl-6-(trifluoromethyl)-4H-pyran-2-one.

Molecular Properties

Compound Name(3R,4R)-3-deuterio-3-(4-fluorophenyl)-4-phenyl-6-(trifluoromethyl)-4H-pyran-2-one
PubChem CID102110257
Molecular FormulaC18H12F4O2
Molecular Weight337.29 g/mol
Exact Mass337.08
IUPAC Name(3R,4R)-3-deuterio-3-(4-fluorophenyl)-4-phenyl-6-(trifluoromethyl)-4H-pyran-2-one
SMILES[2H][C@@]1(c2ccc(F)cc2)C(=O)OC(C(F)(F)F)=C[C@H]1c1ccccc1
InChIInChI=1S/C18H12F4O2/c19-13-8-6-12(7-9-13)16-14(11-4-2-1-3-5-11)10-15(18(20,21)22)24-17(16)23/h1-10,14,16H/t14-,16-/m0/s1/i16D
InChIKeyKZPZILSYFKTPOP-BJGTTZOMSA-N
XLogP4.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,4R)-3-deuterio-3-(4-fluorophenyl)-4-phenyl-6-(trifluoromethyl)-4H-pyran-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 (3R,4R)-3-deuterio-3-(4-fluorophenyl)-4-phenyl-6-(trifluoromethyl)-4H-pyran-2-one?
The IUPAC name of (3R,4R)-3-deuterio-3-(4-fluorophenyl)-4-phenyl-6-(trifluoromethyl)-4H-pyran-2-one (CID 102110257) is (3R,4R)-3-deuterio-3-(4-fluorophenyl)-4-phenyl-6-(trifluoromethyl)-4H-pyran-2-one.
What is the SMILES notation for (3R,4R)-3-deuterio-3-(4-fluorophenyl)-4-phenyl-6-(trifluoromethyl)-4H-pyran-2-one?
The canonical SMILES for (3R,4R)-3-deuterio-3-(4-fluorophenyl)-4-phenyl-6-(trifluoromethyl)-4H-pyran-2-one is [2H][C@@]1(c2ccc(F)cc2)C(=O)OC(C(F)(F)F)=C[C@H]1c1ccccc1.
What is the InChIKey of (3R,4R)-3-deuterio-3-(4-fluorophenyl)-4-phenyl-6-(trifluoromethyl)-4H-pyran-2-one?
The InChIKey is KZPZILSYFKTPOP-BJGTTZOMSA-N. The full InChI is InChI=1S/C18H12F4O2/c19-13-8-6-12(7-9-13)16-14(11-4-2-1-3-5-11)10-15(18(20,21)22)24-17(16)23/h1-10,14,16H/t14-,16-/m0/s1/i16D.
What are the key properties of (3R,4R)-3-deuterio-3-(4-fluorophenyl)-4-phenyl-6-(trifluoromethyl)-4H-pyran-2-one?
(3R,4R)-3-deuterio-3-(4-fluorophenyl)-4-phenyl-6-(trifluoromethyl)-4H-pyran-2-one has a molecular weight of 337.29 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-deuterio-3-(4-fluorophenyl)-4-phenyl-6-(trifluoromethyl)-4H-pyran-2-one is sourced from PubChem (CID 102110257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).