3-fluoro-2-phenyl-2-propylthiomorpholine

C13H18FNS — CID 67818614

IUPAC3-fluoro-2-phenyl-2-propylthiomorpholine
SMILESCCCC1(c2ccccc2)SCCNC1F
InChIInChI=1S/C13H18FNS/c1-2-8-13(11-6-4-3-5-7-11)12(14)15-9-10-16-13/h3-7,12,15H,2,8-10H2,1H3
InChIKeyHKTIZKBYJGQRLA-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.31
Rot. Bonds3

About 3-fluoro-2-phenyl-2-propylthiomorpholine

3-fluoro-2-phenyl-2-propylthiomorpholine (PubChem CID 67818614) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-fluoro-2-phenyl-2-propylthiomorpholine.

Molecular Properties

Compound Name3-fluoro-2-phenyl-2-propylthiomorpholine
PubChem CID67818614
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC Name3-fluoro-2-phenyl-2-propylthiomorpholine
SMILESCCCC1(c2ccccc2)SCCNC1F
InChIInChI=1S/C13H18FNS/c1-2-8-13(11-6-4-3-5-7-11)12(14)15-9-10-16-13/h3-7,12,15H,2,8-10H2,1H3
InChIKeyHKTIZKBYJGQRLA-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
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-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
2-(benzhydrylthio)-N-(cyclopropylmethyl)ethan-1-amine
CID 76318210
N-(2-(benzhydrylthio)ethyl)butan-1-amine
CID 76332746
N-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-1-(2,2-dimethylpropyl)piperidin-4-amine
CID 142590744
3-Methyl-3-phenylpiperidine
CID 89208
N-(2-(benzhydrylsulfinyl)ethyl)butan-1-amine
CID 76325539
2H-1,3-Thiazine, tetrahydro-2-phenyl-
CID 97990
Phenethylamine, beta-(propylthio)-, hydrochloride
CID 3063178
3-Phenylthiomorpholine
CID 4685153
(2R)-2-(3-fluorophenyl)-N-methyl-1-oxothiane-2-carbothioamide
CID 45266354

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-phenyl-2-propylthiomorpholine?
The IUPAC name of 3-fluoro-2-phenyl-2-propylthiomorpholine (CID 67818614) is 3-fluoro-2-phenyl-2-propylthiomorpholine.
What is the SMILES notation for 3-fluoro-2-phenyl-2-propylthiomorpholine?
The canonical SMILES for 3-fluoro-2-phenyl-2-propylthiomorpholine is CCCC1(c2ccccc2)SCCNC1F.
What is the InChIKey of 3-fluoro-2-phenyl-2-propylthiomorpholine?
The InChIKey is HKTIZKBYJGQRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNS/c1-2-8-13(11-6-4-3-5-7-11)12(14)15-9-10-16-13/h3-7,12,15H,2,8-10H2,1H3.
What are the key properties of 3-fluoro-2-phenyl-2-propylthiomorpholine?
3-fluoro-2-phenyl-2-propylthiomorpholine has a molecular weight of 239.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-phenyl-2-propylthiomorpholine is sourced from PubChem (CID 67818614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).