2,2,3-trifluorothiomorpholine

C4H6F3NS — CID 175017643

IUPAC2,2,3-trifluorothiomorpholine
SMILESFC1NCCSC1(F)F
InChIInChI=1S/C4H6F3NS/c5-3-4(6,7)9-2-1-8-3/h3,8H,1-2H2
InChIKeyJTTDEPMTILDDJB-UHFFFAOYSA-N
MW157.16 g/mol
LogP1.21
Rot. Bonds

About 2,2,3-trifluorothiomorpholine

2,2,3-trifluorothiomorpholine (PubChem CID 175017643) has the molecular formula C4H6F3NS and a molecular weight of 157.16 g/mol. Its IUPAC name is 2,2,3-trifluorothiomorpholine.

Molecular Properties

Compound Name2,2,3-trifluorothiomorpholine
PubChem CID175017643
Molecular FormulaC4H6F3NS
Molecular Weight157.16 g/mol
Exact Mass157.02
IUPAC Name2,2,3-trifluorothiomorpholine
SMILESFC1NCCSC1(F)F
InChIInChI=1S/C4H6F3NS/c5-3-4(6,7)9-2-1-8-3/h3,8H,1-2H2
InChIKeyJTTDEPMTILDDJB-UHFFFAOYSA-N
XLogP1.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.16
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethylthiomorpholin-2-amine
CID 174486373
2,2,3-trifluorothiirane
CID 54324343
1,2-difluoro-3-azabicyclo[3.1.0]hexane
CID 129078665
2,2-dimethylthiomorpholine-3-carboxylic acid
CID 13127852
2-(2-azabicyclo[2.1.1]hexan-5-yl)-2-methyl-1,3-thiazolidine
CID 130787816
2-ethenyl-1,3-thiazolidine
CID 90729878
(3S)-3,4,4-trifluoropiperidine
CID 124662369
4-(2,2-dimorpholin-4-ylthiomorpholin-3-yl)morpholine
CID 174292103
(3S,4S)-3,4-difluoro-4-methylpiperidine
CID 125117149
3-(bromomethyl)thiomorpholine
CID 119096156
ethane;1-thia-4,8-diazaspiro[4.5]decane
CID 143985380
tert-butyl 2,3-dimethylthiomorpholine-2-carboxylate
CID 174440995

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluorothiomorpholine?
The IUPAC name of 2,2,3-trifluorothiomorpholine (CID 175017643) is 2,2,3-trifluorothiomorpholine.
What is the SMILES notation for 2,2,3-trifluorothiomorpholine?
The canonical SMILES for 2,2,3-trifluorothiomorpholine is FC1NCCSC1(F)F.
What is the InChIKey of 2,2,3-trifluorothiomorpholine?
The InChIKey is JTTDEPMTILDDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NS/c5-3-4(6,7)9-2-1-8-3/h3,8H,1-2H2.
What are the key properties of 2,2,3-trifluorothiomorpholine?
2,2,3-trifluorothiomorpholine has a molecular weight of 157.16 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluorothiomorpholine is sourced from PubChem (CID 175017643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).