2-[(3,4-difluorophenyl)sulfinylmethyl]morpholine

C11H13F2NO2S — CID 112741743

IUPAC2-[(3,4-difluorophenyl)sulfinylmethyl]morpholine
SMILESO=S(CC1CNCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO2S/c12-10-2-1-9(5-11(10)13)17(15)7-8-6-14-3-4-16-8/h1-2,5,8,14H,3-4,6-7H2
InChIKeyVEAREDYNKYCVKK-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.06
Rot. Bonds3

About 2-[(3,4-difluorophenyl)sulfinylmethyl]morpholine

2-[(3,4-difluorophenyl)sulfinylmethyl]morpholine (PubChem CID 112741743) has the molecular formula C11H13F2NO2S and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)sulfinylmethyl]morpholine.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)sulfinylmethyl]morpholine
PubChem CID112741743
Molecular FormulaC11H13F2NO2S
Molecular Weight261.29 g/mol
Exact Mass261.06
IUPAC Name2-[(3,4-difluorophenyl)sulfinylmethyl]morpholine
SMILESO=S(CC1CNCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO2S/c12-10-2-1-9(5-11(10)13)17(15)7-8-6-14-3-4-16-8/h1-2,5,8,14H,3-4,6-7H2
InChIKeyVEAREDYNKYCVKK-UHFFFAOYSA-N
XLogP1.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine
CID 116941595
2-(methylsulfinylmethyl)morpholine
CID 84716945
1-(3,4-difluorophenyl)-N-methyl-2-morpholin-2-ylethanamine
CID 116956852
2-[2-(5-chloro-2-fluorophenyl)ethyl]morpholine
CID 116868519
2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine
CID 64535080
4-fluoro-3-methyl-N-(2-morpholin-2-ylethyl)aniline
CID 115239076
1-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylethanone
CID 105396502
5-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 113287101
5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide
CID 117044843
1-(4-chlorophenyl)-2-morpholin-2-ylethanone
CID 116586223
4-fluoro-3-(morpholin-2-ylmethoxymethyl)benzamide
CID 114468540
2-(morpholin-2-ylmethyl)morpholine
CID 18506039

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)sulfinylmethyl]morpholine?
The IUPAC name of 2-[(3,4-difluorophenyl)sulfinylmethyl]morpholine (CID 112741743) is 2-[(3,4-difluorophenyl)sulfinylmethyl]morpholine.
What is the SMILES notation for 2-[(3,4-difluorophenyl)sulfinylmethyl]morpholine?
The canonical SMILES for 2-[(3,4-difluorophenyl)sulfinylmethyl]morpholine is O=S(CC1CNCCO1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)sulfinylmethyl]morpholine?
The InChIKey is VEAREDYNKYCVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2S/c12-10-2-1-9(5-11(10)13)17(15)7-8-6-14-3-4-16-8/h1-2,5,8,14H,3-4,6-7H2.
What are the key properties of 2-[(3,4-difluorophenyl)sulfinylmethyl]morpholine?
2-[(3,4-difluorophenyl)sulfinylmethyl]morpholine has a molecular weight of 261.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)sulfinylmethyl]morpholine is sourced from PubChem (CID 112741743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).