2-(4-fluorophenyl)thiomorpholine

C10H12FNS — CID 3696518

IUPAC2-(4-fluorophenyl)thiomorpholine
SMILESFc1ccc(C2CNCCS2)cc1
InChIInChI=1S/C10H12FNS/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-4,10,12H,5-7H2
InChIKeyHMTJELZUGFKLFU-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.20
Rot. Bonds1

About 2-(4-fluorophenyl)thiomorpholine

2-(4-fluorophenyl)thiomorpholine (PubChem CID 3696518) has the molecular formula C10H12FNS and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)thiomorpholine.

Molecular Properties

Compound Name2-(4-fluorophenyl)thiomorpholine
PubChem CID3696518
Molecular FormulaC10H12FNS
Molecular Weight197.28 g/mol
Exact Mass197.07
IUPAC Name2-(4-fluorophenyl)thiomorpholine
SMILESFc1ccc(C2CNCCS2)cc1
InChIInChI=1S/C10H12FNS/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-4,10,12H,5-7H2
InChIKeyHMTJELZUGFKLFU-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Fluoro-benzyl)-piperidine
CID 3699841
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-(benzhydrylthio)ethyl)butan-1-amine
CID 76332746
4-(4-Fluorophenyl)piperidine
CID 2759136
(S)-3-(4-Fluorobenzyl)piperidine
CID 12174831
4-(3,4-Difluorobenzyl)thiomorpholine
CID 792677
2H-1,3-Thiazine, tetrahydro-2-phenyl-
CID 97990
Thiazolidine, 2-(2-phenylethyl)-
CID 3043137

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)thiomorpholine?
The IUPAC name of 2-(4-fluorophenyl)thiomorpholine (CID 3696518) is 2-(4-fluorophenyl)thiomorpholine.
What is the SMILES notation for 2-(4-fluorophenyl)thiomorpholine?
The canonical SMILES for 2-(4-fluorophenyl)thiomorpholine is Fc1ccc(C2CNCCS2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)thiomorpholine?
The InChIKey is HMTJELZUGFKLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNS/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-4,10,12H,5-7H2.
What are the key properties of 2-(4-fluorophenyl)thiomorpholine?
2-(4-fluorophenyl)thiomorpholine has a molecular weight of 197.28 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)thiomorpholine is sourced from PubChem (CID 3696518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).