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

C11H12ClFO — CID 154713781

IUPAC(2R,4S)-2-(4-chlorophenyl)-4-fluorooxane
SMILESF[C@H]1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H12ClFO/c12-9-3-1-8(2-4-9)11-7-10(13)5-6-14-11/h1-4,10-11H,5-7H2/t10-,11+/m0/s1
InChIKeyVCXRUGBZBLDVTJ-WDEREUQCSA-N
MW214.67 g/mol
LogP3.53
Rot. Bonds1

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

(2R,4S)-2-(4-chlorophenyl)-4-fluorooxane (PubChem CID 154713781) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is (2R,4S)-2-(4-chlorophenyl)-4-fluorooxane.

Molecular Properties

Compound Name(2R,4S)-2-(4-chlorophenyl)-4-fluorooxane
PubChem CID154713781
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name(2R,4S)-2-(4-chlorophenyl)-4-fluorooxane
SMILESF[C@H]1CCO[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H12ClFO/c12-9-3-1-8(2-4-9)11-7-10(13)5-6-14-11/h1-4,10-11H,5-7H2/t10-,11+/m0/s1
InChIKeyVCXRUGBZBLDVTJ-WDEREUQCSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(4-chlorophenyl)-4-fluorooxane?
The IUPAC name of (2R,4S)-2-(4-chlorophenyl)-4-fluorooxane (CID 154713781) is (2R,4S)-2-(4-chlorophenyl)-4-fluorooxane.
What is the SMILES notation for (2R,4S)-2-(4-chlorophenyl)-4-fluorooxane?
The canonical SMILES for (2R,4S)-2-(4-chlorophenyl)-4-fluorooxane is F[C@H]1CCO[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of (2R,4S)-2-(4-chlorophenyl)-4-fluorooxane?
The InChIKey is VCXRUGBZBLDVTJ-WDEREUQCSA-N. The full InChI is InChI=1S/C11H12ClFO/c12-9-3-1-8(2-4-9)11-7-10(13)5-6-14-11/h1-4,10-11H,5-7H2/t10-,11+/m0/s1.
What are the key properties of (2R,4S)-2-(4-chlorophenyl)-4-fluorooxane?
(2R,4S)-2-(4-chlorophenyl)-4-fluorooxane has a molecular weight of 214.67 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(4-chlorophenyl)-4-fluorooxane is sourced from PubChem (CID 154713781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).