2-(2,3,4-trifluorophenyl)thiomorpholine

C10H10F3NS — CID 67103593

IUPAC2-(2,3,4-trifluorophenyl)thiomorpholine
SMILESFc1ccc(C2CNCCS2)c(F)c1F
InChIInChI=1S/C10H10F3NS/c11-7-2-1-6(9(12)10(7)13)8-5-14-3-4-15-8/h1-2,8,14H,3-5H2
InChIKeyUDNDLXKEYHKNIC-UHFFFAOYSA-N
MW233.26 g/mol
LogP2.48
Rot. Bonds1

About 2-(2,3,4-trifluorophenyl)thiomorpholine

2-(2,3,4-trifluorophenyl)thiomorpholine (PubChem CID 67103593) has the molecular formula C10H10F3NS and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-(2,3,4-trifluorophenyl)thiomorpholine.

Molecular Properties

Compound Name2-(2,3,4-trifluorophenyl)thiomorpholine
PubChem CID67103593
Molecular FormulaC10H10F3NS
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name2-(2,3,4-trifluorophenyl)thiomorpholine
SMILESFc1ccc(C2CNCCS2)c(F)c1F
InChIInChI=1S/C10H10F3NS/c11-7-2-1-6(9(12)10(7)13)8-5-14-3-4-15-8/h1-2,8,14H,3-5H2
InChIKeyUDNDLXKEYHKNIC-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-Phenylthiomorpholine
CID 5004199
N-(2-((bis(4-fluorophenyl)methyl)thio)ethyl)-3-phenylpropan-1-amine
CID 10430935
6-Phenylthiomorpholin-3-one
CID 20242416
4-(3-Fluorobenzyl)thiomorpholine
CID 1377206
Ethanethiol, 2-phenethylamino-
CID 96656
N-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 142590706
N-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-1-(2,2-dimethylpropyl)piperidin-4-amine
CID 142590744
N-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-1-(cyclopropylmethyl)piperidin-4-amine
CID 155769427
4-(3,4-Difluorobenzyl)thiomorpholine
CID 792677
2H-1,3-Thiazine, tetrahydro-2-phenyl-
CID 97990
Thiazolidine, 2-(2-phenylethyl)-
CID 3043137
Thiazolidine, 2-(p-fluorophenyl)-
CID 3050852

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trifluorophenyl)thiomorpholine?
The IUPAC name of 2-(2,3,4-trifluorophenyl)thiomorpholine (CID 67103593) is 2-(2,3,4-trifluorophenyl)thiomorpholine.
What is the SMILES notation for 2-(2,3,4-trifluorophenyl)thiomorpholine?
The canonical SMILES for 2-(2,3,4-trifluorophenyl)thiomorpholine is Fc1ccc(C2CNCCS2)c(F)c1F.
What is the InChIKey of 2-(2,3,4-trifluorophenyl)thiomorpholine?
The InChIKey is UDNDLXKEYHKNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NS/c11-7-2-1-6(9(12)10(7)13)8-5-14-3-4-15-8/h1-2,8,14H,3-5H2.
What are the key properties of 2-(2,3,4-trifluorophenyl)thiomorpholine?
2-(2,3,4-trifluorophenyl)thiomorpholine has a molecular weight of 233.26 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trifluorophenyl)thiomorpholine is sourced from PubChem (CID 67103593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).