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

C12H15FO — CID 162398577

IUPAC(2R,4S)-2-benzyl-4-fluorooxane
SMILESF[C@H]1CCO[C@H](Cc2ccccc2)C1
InChIInChI=1S/C12H15FO/c13-11-6-7-14-12(9-11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12+/m0/s1
InChIKeyNULWALRZDHPBIG-NWDGAFQWSA-N
MW194.25 g/mol
LogP2.75
Rot. Bonds2

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

(2R,4S)-2-benzyl-4-fluorooxane (PubChem CID 162398577) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is (2R,4S)-2-benzyl-4-fluorooxane.

Molecular Properties

Compound Name(2R,4S)-2-benzyl-4-fluorooxane
PubChem CID162398577
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name(2R,4S)-2-benzyl-4-fluorooxane
SMILESF[C@H]1CCO[C@H](Cc2ccccc2)C1
InChIInChI=1S/C12H15FO/c13-11-6-7-14-12(9-11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12+/m0/s1
InChIKeyNULWALRZDHPBIG-NWDGAFQWSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-benzyl-4-fluorooxane?
The IUPAC name of (2R,4S)-2-benzyl-4-fluorooxane (CID 162398577) is (2R,4S)-2-benzyl-4-fluorooxane.
What is the SMILES notation for (2R,4S)-2-benzyl-4-fluorooxane?
The canonical SMILES for (2R,4S)-2-benzyl-4-fluorooxane is F[C@H]1CCO[C@H](Cc2ccccc2)C1.
What is the InChIKey of (2R,4S)-2-benzyl-4-fluorooxane?
The InChIKey is NULWALRZDHPBIG-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H15FO/c13-11-6-7-14-12(9-11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12+/m0/s1.
What are the key properties of (2R,4S)-2-benzyl-4-fluorooxane?
(2R,4S)-2-benzyl-4-fluorooxane has a molecular weight of 194.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-benzyl-4-fluorooxane is sourced from PubChem (CID 162398577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).