(2R,3S)-2-(2-fluorophenyl)-3-phenylsulfanyloxane

C17H17FOS — CID 85090299

IUPAC(2R,3S)-2-(2-fluorophenyl)-3-phenylsulfanyloxane
SMILESFc1ccccc1[C@H]1OCCC[C@@H]1Sc1ccccc1
InChIInChI=1S/C17H17FOS/c18-15-10-5-4-9-14(15)17-16(11-6-12-19-17)20-13-7-2-1-3-8-13/h1-5,7-10,16-17H,6,11-12H2/t16-,17+/m0/s1
InChIKeyRGJIEEFVLGEBRK-DLBZAZTESA-N
MW288.39 g/mol
LogP4.84
Rot. Bonds3

About (2R,3S)-2-(2-fluorophenyl)-3-phenylsulfanyloxane

(2R,3S)-2-(2-fluorophenyl)-3-phenylsulfanyloxane (PubChem CID 85090299) has the molecular formula C17H17FOS and a molecular weight of 288.39 g/mol. Its IUPAC name is (2R,3S)-2-(2-fluorophenyl)-3-phenylsulfanyloxane.

Molecular Properties

Compound Name(2R,3S)-2-(2-fluorophenyl)-3-phenylsulfanyloxane
PubChem CID85090299
Molecular FormulaC17H17FOS
Molecular Weight288.39 g/mol
Exact Mass288.10
IUPAC Name(2R,3S)-2-(2-fluorophenyl)-3-phenylsulfanyloxane
SMILESFc1ccccc1[C@H]1OCCC[C@@H]1Sc1ccccc1
InChIInChI=1S/C17H17FOS/c18-15-10-5-4-9-14(15)17-16(11-6-12-19-17)20-13-7-2-1-3-8-13/h1-5,7-10,16-17H,6,11-12H2/t16-,17+/m0/s1
InChIKeyRGJIEEFVLGEBRK-DLBZAZTESA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(2-fluorophenyl)-3-phenylsulfanyloxane?
The IUPAC name of (2R,3S)-2-(2-fluorophenyl)-3-phenylsulfanyloxane (CID 85090299) is (2R,3S)-2-(2-fluorophenyl)-3-phenylsulfanyloxane.
What is the SMILES notation for (2R,3S)-2-(2-fluorophenyl)-3-phenylsulfanyloxane?
The canonical SMILES for (2R,3S)-2-(2-fluorophenyl)-3-phenylsulfanyloxane is Fc1ccccc1[C@H]1OCCC[C@@H]1Sc1ccccc1.
What is the InChIKey of (2R,3S)-2-(2-fluorophenyl)-3-phenylsulfanyloxane?
The InChIKey is RGJIEEFVLGEBRK-DLBZAZTESA-N. The full InChI is InChI=1S/C17H17FOS/c18-15-10-5-4-9-14(15)17-16(11-6-12-19-17)20-13-7-2-1-3-8-13/h1-5,7-10,16-17H,6,11-12H2/t16-,17+/m0/s1.
What are the key properties of (2R,3S)-2-(2-fluorophenyl)-3-phenylsulfanyloxane?
(2R,3S)-2-(2-fluorophenyl)-3-phenylsulfanyloxane has a molecular weight of 288.39 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(2-fluorophenyl)-3-phenylsulfanyloxane is sourced from PubChem (CID 85090299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).