2-[4-(2,2-difluoroethylsulfanyl)phenyl]morpholine

C12H15F2NOS — CID 84806190

IUPAC2-[4-(2,2-difluoroethylsulfanyl)phenyl]morpholine
SMILESFC(F)CSc1ccc(C2CNCCO2)cc1
InChIInChI=1S/C12H15F2NOS/c13-12(14)8-17-10-3-1-9(2-4-10)11-7-15-5-6-16-11/h1-4,11-12,15H,5-8H2
InChIKeySEFZNMAGHPLXJB-UHFFFAOYSA-N
MW259.32 g/mol
LogP2.70
Rot. Bonds4

About 2-[4-(2,2-difluoroethylsulfanyl)phenyl]morpholine

2-[4-(2,2-difluoroethylsulfanyl)phenyl]morpholine (PubChem CID 84806190) has the molecular formula C12H15F2NOS and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethylsulfanyl)phenyl]morpholine.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethylsulfanyl)phenyl]morpholine
PubChem CID84806190
Molecular FormulaC12H15F2NOS
Molecular Weight259.32 g/mol
Exact Mass259.08
IUPAC Name2-[4-(2,2-difluoroethylsulfanyl)phenyl]morpholine
SMILESFC(F)CSc1ccc(C2CNCCO2)cc1
InChIInChI=1S/C12H15F2NOS/c13-12(14)8-17-10-3-1-9(2-4-10)11-7-15-5-6-16-11/h1-4,11-12,15H,5-8H2
InChIKeySEFZNMAGHPLXJB-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-(difluoromethoxy)phenyl]morpholine
CID 93302393
2-[4-(trifluoromethyl)phenyl]morpholine
CID 3756313
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
azane;2-phenylmorpholine
CID 174664757
2-(4-piperidin-4-ylphenyl)morpholine
CID 117368630
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
(2S)-2-(4-methylsulfonylphenyl)morpholine
CID 93302356
2-(3,4-dimethylphenyl)morpholine
CID 43169342
(2R)-2-(4-fluoro-3-methylphenyl)morpholine
CID 94254202
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034
N-hydroxy-2-(4-morpholin-2-ylphenyl)-2-phenylacetamide
CID 175263952
2-[4-(2-pyrrolidin-1-ylethyl)phenyl]morpholine
CID 117405594

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethylsulfanyl)phenyl]morpholine?
The IUPAC name of 2-[4-(2,2-difluoroethylsulfanyl)phenyl]morpholine (CID 84806190) is 2-[4-(2,2-difluoroethylsulfanyl)phenyl]morpholine.
What is the SMILES notation for 2-[4-(2,2-difluoroethylsulfanyl)phenyl]morpholine?
The canonical SMILES for 2-[4-(2,2-difluoroethylsulfanyl)phenyl]morpholine is FC(F)CSc1ccc(C2CNCCO2)cc1.
What is the InChIKey of 2-[4-(2,2-difluoroethylsulfanyl)phenyl]morpholine?
The InChIKey is SEFZNMAGHPLXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NOS/c13-12(14)8-17-10-3-1-9(2-4-10)11-7-15-5-6-16-11/h1-4,11-12,15H,5-8H2.
What are the key properties of 2-[4-(2,2-difluoroethylsulfanyl)phenyl]morpholine?
2-[4-(2,2-difluoroethylsulfanyl)phenyl]morpholine has a molecular weight of 259.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethylsulfanyl)phenyl]morpholine is sourced from PubChem (CID 84806190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).