(2S,6R)-2,6-bis(4-chlorophenyl)-4-fluorooxane

C17H15Cl2FO — CID 46242317

IUPAC(2S,6R)-2,6-bis(4-chlorophenyl)-4-fluorooxane
SMILESFC1C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H15Cl2FO/c18-13-5-1-11(2-6-13)16-9-15(20)10-17(21-16)12-3-7-14(19)8-4-12/h1-8,15-17H,9-10H2/t15?,16-,17+
InChIKeyNVRMNVYHORSPQJ-ALOPSCKCSA-N
MW325.21 g/mol
LogP5.92
Rot. Bonds2

About (2S,6R)-2,6-bis(4-chlorophenyl)-4-fluorooxane

(2S,6R)-2,6-bis(4-chlorophenyl)-4-fluorooxane (PubChem CID 46242317) has the molecular formula C17H15Cl2FO and a molecular weight of 325.21 g/mol. Its IUPAC name is (2S,6R)-2,6-bis(4-chlorophenyl)-4-fluorooxane.

Molecular Properties

Compound Name(2S,6R)-2,6-bis(4-chlorophenyl)-4-fluorooxane
PubChem CID46242317
Molecular FormulaC17H15Cl2FO
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name(2S,6R)-2,6-bis(4-chlorophenyl)-4-fluorooxane
SMILESFC1C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H15Cl2FO/c18-13-5-1-11(2-6-13)16-9-15(20)10-17(21-16)12-3-7-14(19)8-4-12/h1-8,15-17H,9-10H2/t15?,16-,17+
InChIKeyNVRMNVYHORSPQJ-ALOPSCKCSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.21
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S,6R)-2,6-bis(4-chlorophenyl)-4-fluorooxane 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 (2S,6R)-2,6-bis(4-chlorophenyl)-4-fluorooxane?
The IUPAC name of (2S,6R)-2,6-bis(4-chlorophenyl)-4-fluorooxane (CID 46242317) is (2S,6R)-2,6-bis(4-chlorophenyl)-4-fluorooxane.
What is the SMILES notation for (2S,6R)-2,6-bis(4-chlorophenyl)-4-fluorooxane?
The canonical SMILES for (2S,6R)-2,6-bis(4-chlorophenyl)-4-fluorooxane is FC1C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (2S,6R)-2,6-bis(4-chlorophenyl)-4-fluorooxane?
The InChIKey is NVRMNVYHORSPQJ-ALOPSCKCSA-N. The full InChI is InChI=1S/C17H15Cl2FO/c18-13-5-1-11(2-6-13)16-9-15(20)10-17(21-16)12-3-7-14(19)8-4-12/h1-8,15-17H,9-10H2/t15?,16-,17+.
What are the key properties of (2S,6R)-2,6-bis(4-chlorophenyl)-4-fluorooxane?
(2S,6R)-2,6-bis(4-chlorophenyl)-4-fluorooxane has a molecular weight of 325.21 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-bis(4-chlorophenyl)-4-fluorooxane is sourced from PubChem (CID 46242317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).