2-(2-fluorophenyl)-2-propylthiomorpholine

C13H18FNS — CID 67818605

IUPAC2-(2-fluorophenyl)-2-propylthiomorpholine
SMILESCCCC1(c2ccccc2F)CNCCS1
InChIInChI=1S/C13H18FNS/c1-2-7-13(10-15-8-9-16-13)11-5-3-4-6-12(11)14/h3-6,15H,2,7-10H2,1H3
InChIKeyMNZTZAWATGELIF-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.16
Rot. Bonds3

About 2-(2-fluorophenyl)-2-propylthiomorpholine

2-(2-fluorophenyl)-2-propylthiomorpholine (PubChem CID 67818605) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-propylthiomorpholine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-propylthiomorpholine
PubChem CID67818605
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC Name2-(2-fluorophenyl)-2-propylthiomorpholine
SMILESCCCC1(c2ccccc2F)CNCCS1
InChIInChI=1S/C13H18FNS/c1-2-7-13(10-15-8-9-16-13)11-5-3-4-6-12(11)14/h3-6,15H,2,7-10H2,1H3
InChIKeyMNZTZAWATGELIF-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.16
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
N-(2-(benzhydrylthio)ethyl)-3-phenylpropan-1-amine
CID 9975860
N-(2-(benzhydrylthio)ethyl)butan-1-amine
CID 76332746
(3R,5S)-1-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-3,5-dimethylpiperazine
CID 142590736
N-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-1-(2,2-dimethylpropyl)piperidin-4-amine
CID 142590744
4-(4-Fluorophenyl)piperidine
CID 2759136
(S)-3-(4-Fluorobenzyl)piperidine
CID 12174831
2H-1,3-Thiazine, tetrahydro-2-phenyl-
CID 97990
3-Phenylthiomorpholine
CID 4685153
(3R)-3-[(4-Fluorophenyl)methyl]piperidine
CID 40427937

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-propylthiomorpholine?
The IUPAC name of 2-(2-fluorophenyl)-2-propylthiomorpholine (CID 67818605) is 2-(2-fluorophenyl)-2-propylthiomorpholine.
What is the SMILES notation for 2-(2-fluorophenyl)-2-propylthiomorpholine?
The canonical SMILES for 2-(2-fluorophenyl)-2-propylthiomorpholine is CCCC1(c2ccccc2F)CNCCS1.
What is the InChIKey of 2-(2-fluorophenyl)-2-propylthiomorpholine?
The InChIKey is MNZTZAWATGELIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNS/c1-2-7-13(10-15-8-9-16-13)11-5-3-4-6-12(11)14/h3-6,15H,2,7-10H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-2-propylthiomorpholine?
2-(2-fluorophenyl)-2-propylthiomorpholine has a molecular weight of 239.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-propylthiomorpholine is sourced from PubChem (CID 67818605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).