(2S,4S)-4-fluoro-2-(2-phenylethyl)oxane

C13H17FO — CID 146168809

IUPAC(2S,4S)-4-fluoro-2-(2-phenylethyl)oxane
SMILESF[C@H]1CCO[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C13H17FO/c14-12-8-9-15-13(10-12)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13-/m0/s1
InChIKeyIUOVOPTXJYPHIE-STQMWFEESA-N
MW208.28 g/mol
LogP3.14
Rot. Bonds3

About (2S,4S)-4-fluoro-2-(2-phenylethyl)oxane

(2S,4S)-4-fluoro-2-(2-phenylethyl)oxane (PubChem CID 146168809) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-2-(2-phenylethyl)oxane.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-2-(2-phenylethyl)oxane
PubChem CID146168809
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name(2S,4S)-4-fluoro-2-(2-phenylethyl)oxane
SMILESF[C@H]1CCO[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C13H17FO/c14-12-8-9-15-13(10-12)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13-/m0/s1
InChIKeyIUOVOPTXJYPHIE-STQMWFEESA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-2-(2-phenylethyl)oxane?
The IUPAC name of (2S,4S)-4-fluoro-2-(2-phenylethyl)oxane (CID 146168809) is (2S,4S)-4-fluoro-2-(2-phenylethyl)oxane.
What is the SMILES notation for (2S,4S)-4-fluoro-2-(2-phenylethyl)oxane?
The canonical SMILES for (2S,4S)-4-fluoro-2-(2-phenylethyl)oxane is F[C@H]1CCO[C@@H](CCc2ccccc2)C1.
What is the InChIKey of (2S,4S)-4-fluoro-2-(2-phenylethyl)oxane?
The InChIKey is IUOVOPTXJYPHIE-STQMWFEESA-N. The full InChI is InChI=1S/C13H17FO/c14-12-8-9-15-13(10-12)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-2-(2-phenylethyl)oxane?
(2S,4S)-4-fluoro-2-(2-phenylethyl)oxane has a molecular weight of 208.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-2-(2-phenylethyl)oxane is sourced from PubChem (CID 146168809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).