(2S,4S)-4-fluoro-2-naphthalen-2-yloxane

C15H15FO — CID 155927211

IUPAC(2S,4S)-4-fluoro-2-naphthalen-2-yloxane
SMILESF[C@H]1CCO[C@H](c2ccc3ccccc3c2)C1
InChIInChI=1S/C15H15FO/c16-14-7-8-17-15(10-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-15H,7-8,10H2/t14-,15-/m0/s1
InChIKeyDLGQDFFWROPKEK-GJZGRUSLSA-N
MW230.28 g/mol
LogP4.03
Rot. Bonds1

About (2S,4S)-4-fluoro-2-naphthalen-2-yloxane

(2S,4S)-4-fluoro-2-naphthalen-2-yloxane (PubChem CID 155927211) has the molecular formula C15H15FO and a molecular weight of 230.28 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-2-naphthalen-2-yloxane.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-2-naphthalen-2-yloxane
PubChem CID155927211
Molecular FormulaC15H15FO
Molecular Weight230.28 g/mol
Exact Mass230.11
IUPAC Name(2S,4S)-4-fluoro-2-naphthalen-2-yloxane
SMILESF[C@H]1CCO[C@H](c2ccc3ccccc3c2)C1
InChIInChI=1S/C15H15FO/c16-14-7-8-17-15(10-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-15H,7-8,10H2/t14-,15-/m0/s1
InChIKeyDLGQDFFWROPKEK-GJZGRUSLSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 54.03
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-naphthalen-2-yloxane?
The IUPAC name of (2S,4S)-4-fluoro-2-naphthalen-2-yloxane (CID 155927211) is (2S,4S)-4-fluoro-2-naphthalen-2-yloxane.
What is the SMILES notation for (2S,4S)-4-fluoro-2-naphthalen-2-yloxane?
The canonical SMILES for (2S,4S)-4-fluoro-2-naphthalen-2-yloxane is F[C@H]1CCO[C@H](c2ccc3ccccc3c2)C1.
What is the InChIKey of (2S,4S)-4-fluoro-2-naphthalen-2-yloxane?
The InChIKey is DLGQDFFWROPKEK-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H15FO/c16-14-7-8-17-15(10-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14-15H,7-8,10H2/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-2-naphthalen-2-yloxane?
(2S,4S)-4-fluoro-2-naphthalen-2-yloxane has a molecular weight of 230.28 g/mol, XLogP of 4.03, 1 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-naphthalen-2-yloxane is sourced from PubChem (CID 155927211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).