2-[(R)-(4-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine

C18H20FNO2S — CID 91583173

IUPAC2-[(R)-(4-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine
SMILESCOc1ccccc1S[C@H](c1ccc(F)cc1)C1CNCCO1
InChIInChI=1S/C18H20FNO2S/c1-21-15-4-2-3-5-17(15)23-18(16-12-20-10-11-22-16)13-6-8-14(19)9-7-13/h2-9,16,18,20H,10-12H2,1H3/t16?,18-/m1/s1
InChIKeyPJYHLNOAJVSSLG-UHUGOGIASA-N
MW333.43 g/mol
LogP3.66
Rot. Bonds5

About 2-[(R)-(4-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine

2-[(R)-(4-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine (PubChem CID 91583173) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[(R)-(4-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine.

Molecular Properties

Compound Name2-[(R)-(4-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine
PubChem CID91583173
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name2-[(R)-(4-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine
SMILESCOc1ccccc1S[C@H](c1ccc(F)cc1)C1CNCCO1
InChIInChI=1S/C18H20FNO2S/c1-21-15-4-2-3-5-17(15)23-18(16-12-20-10-11-22-16)13-6-8-14(19)9-7-13/h2-9,16,18,20H,10-12H2,1H3/t16?,18-/m1/s1
InChIKeyPJYHLNOAJVSSLG-UHUGOGIASA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(4-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine?
The IUPAC name of 2-[(R)-(4-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine (CID 91583173) is 2-[(R)-(4-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine.
What is the SMILES notation for 2-[(R)-(4-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine?
The canonical SMILES for 2-[(R)-(4-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine is COc1ccccc1S[C@H](c1ccc(F)cc1)C1CNCCO1.
What is the InChIKey of 2-[(R)-(4-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine?
The InChIKey is PJYHLNOAJVSSLG-UHUGOGIASA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-21-15-4-2-3-5-17(15)23-18(16-12-20-10-11-22-16)13-6-8-14(19)9-7-13/h2-9,16,18,20H,10-12H2,1H3/t16?,18-/m1/s1.
What are the key properties of 2-[(R)-(4-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine?
2-[(R)-(4-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine has a molecular weight of 333.43 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(4-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine is sourced from PubChem (CID 91583173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).