2-[(3-fluorophenyl)methyl]thiomorpholine

C11H14FNS — CID 82284188

IUPAC2-[(3-fluorophenyl)methyl]thiomorpholine
SMILESFc1cccc(CC2CNCCS2)c1
InChIInChI=1S/C11H14FNS/c12-10-3-1-2-9(6-10)7-11-8-13-4-5-14-11/h1-3,6,11,13H,4-5,7-8H2
InChIKeyHQKBTISWMXLESS-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.07
Rot. Bonds2

About 2-[(3-fluorophenyl)methyl]thiomorpholine

2-[(3-fluorophenyl)methyl]thiomorpholine (PubChem CID 82284188) has the molecular formula C11H14FNS and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]thiomorpholine
PubChem CID82284188
Molecular FormulaC11H14FNS
Molecular Weight211.31 g/mol
Exact Mass211.08
IUPAC Name2-[(3-fluorophenyl)methyl]thiomorpholine
SMILESFc1cccc(CC2CNCCS2)c1
InChIInChI=1S/C11H14FNS/c12-10-3-1-2-9(6-10)7-11-8-13-4-5-14-11/h1-3,6,11,13H,4-5,7-8H2
InChIKeyHQKBTISWMXLESS-UHFFFAOYSA-N
XLogP2.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)methyl]-4-methylthiomorpholine
CID 174785090
2-[(3-fluorophenyl)methyl]-1,3-dithiane
CID 19793236
3,3-difluoro-4-[(3-fluorophenyl)methyl]pyrrolidine
CID 84680895
2-ethyl-1-[(3-fluorophenyl)methyl]piperazine
CID 63602697
(3R)-3-[(3-fluorophenyl)methyl]piperidin-2-one
CID 124592992
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
3-[2-(3-fluorophenyl)ethoxy]pyrrolidine
CID 115070515
(8aS)-7-[(3-fluorophenyl)methyl]-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;hydrochloride
CID 86680468
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
4-[(3-fluorophenyl)methyl]-2,2-dimethylpyrrolidine
CID 117269758
1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880
3-chloro-4-[(3-fluorophenyl)methyl]thiolane
CID 83190405

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]thiomorpholine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]thiomorpholine (CID 82284188) is 2-[(3-fluorophenyl)methyl]thiomorpholine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]thiomorpholine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]thiomorpholine is Fc1cccc(CC2CNCCS2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]thiomorpholine?
The InChIKey is HQKBTISWMXLESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNS/c12-10-3-1-2-9(6-10)7-11-8-13-4-5-14-11/h1-3,6,11,13H,4-5,7-8H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]thiomorpholine?
2-[(3-fluorophenyl)methyl]thiomorpholine has a molecular weight of 211.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]thiomorpholine is sourced from PubChem (CID 82284188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).