2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine

C11H13F2NOS — CID 64535080

IUPAC2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine
SMILESFc1ccc(F)c(SCC2CNCCO2)c1
InChIInChI=1S/C11H13F2NOS/c12-8-1-2-10(13)11(5-8)16-7-9-6-14-3-4-15-9/h1-2,5,9,14H,3-4,6-7H2
InChIKeyBLOPCBJZFXJGAX-UHFFFAOYSA-N
MW245.29 g/mol
LogP2.05
Rot. Bonds3

About 2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine

2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine (PubChem CID 64535080) has the molecular formula C11H13F2NOS and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine
PubChem CID64535080
Molecular FormulaC11H13F2NOS
Molecular Weight245.29 g/mol
Exact Mass245.07
IUPAC Name2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine
SMILESFc1ccc(F)c(SCC2CNCCO2)c1
InChIInChI=1S/C11H13F2NOS/c12-8-1-2-10(13)11(5-8)16-7-9-6-14-3-4-15-9/h1-2,5,9,14H,3-4,6-7H2
InChIKeyBLOPCBJZFXJGAX-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine?
The IUPAC name of 2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine (CID 64535080) is 2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine.
What is the SMILES notation for 2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine?
The canonical SMILES for 2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine is Fc1ccc(F)c(SCC2CNCCO2)c1.
What is the InChIKey of 2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine?
The InChIKey is BLOPCBJZFXJGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NOS/c12-8-1-2-10(13)11(5-8)16-7-9-6-14-3-4-15-9/h1-2,5,9,14H,3-4,6-7H2.
What are the key properties of 2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine?
2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine has a molecular weight of 245.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine is sourced from PubChem (CID 64535080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).