(2R,6S)-4-chloro-2,6-bis(4-fluorophenyl)oxane

C17H15ClF2O — CID 10892229

IUPAC(2R,6S)-4-chloro-2,6-bis(4-fluorophenyl)oxane
SMILESFc1ccc([C@@H]2CC(Cl)C[C@H](c3ccc(F)cc3)O2)cc1
InChIInChI=1S/C17H15ClF2O/c18-13-9-16(11-1-5-14(19)6-2-11)21-17(10-13)12-3-7-15(20)8-4-12/h1-8,13,16-17H,9-10H2/t13?,16-,17+
InChIKeyAPXUZUXZIDOLEF-FUCXHRTASA-N
MW308.76 g/mol
LogP5.16
Rot. Bonds2

About (2R,6S)-4-chloro-2,6-bis(4-fluorophenyl)oxane

(2R,6S)-4-chloro-2,6-bis(4-fluorophenyl)oxane (PubChem CID 10892229) has the molecular formula C17H15ClF2O and a molecular weight of 308.76 g/mol. Its IUPAC name is (2R,6S)-4-chloro-2,6-bis(4-fluorophenyl)oxane.

Molecular Properties

Compound Name(2R,6S)-4-chloro-2,6-bis(4-fluorophenyl)oxane
PubChem CID10892229
Molecular FormulaC17H15ClF2O
Molecular Weight308.76 g/mol
Exact Mass308.08
IUPAC Name(2R,6S)-4-chloro-2,6-bis(4-fluorophenyl)oxane
SMILESFc1ccc([C@@H]2CC(Cl)C[C@H](c3ccc(F)cc3)O2)cc1
InChIInChI=1S/C17H15ClF2O/c18-13-9-16(11-1-5-14(19)6-2-11)21-17(10-13)12-3-7-15(20)8-4-12/h1-8,13,16-17H,9-10H2/t13?,16-,17+
InChIKeyAPXUZUXZIDOLEF-FUCXHRTASA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.76
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-chloro-2,6-bis(4-fluorophenyl)oxane?
The IUPAC name of (2R,6S)-4-chloro-2,6-bis(4-fluorophenyl)oxane (CID 10892229) is (2R,6S)-4-chloro-2,6-bis(4-fluorophenyl)oxane.
What is the SMILES notation for (2R,6S)-4-chloro-2,6-bis(4-fluorophenyl)oxane?
The canonical SMILES for (2R,6S)-4-chloro-2,6-bis(4-fluorophenyl)oxane is Fc1ccc([C@@H]2CC(Cl)C[C@H](c3ccc(F)cc3)O2)cc1.
What is the InChIKey of (2R,6S)-4-chloro-2,6-bis(4-fluorophenyl)oxane?
The InChIKey is APXUZUXZIDOLEF-FUCXHRTASA-N. The full InChI is InChI=1S/C17H15ClF2O/c18-13-9-16(11-1-5-14(19)6-2-11)21-17(10-13)12-3-7-15(20)8-4-12/h1-8,13,16-17H,9-10H2/t13?,16-,17+.
What are the key properties of (2R,6S)-4-chloro-2,6-bis(4-fluorophenyl)oxane?
(2R,6S)-4-chloro-2,6-bis(4-fluorophenyl)oxane has a molecular weight of 308.76 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-chloro-2,6-bis(4-fluorophenyl)oxane is sourced from PubChem (CID 10892229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).