4-[(3-fluorophenyl)methyl]thiomorpholine

C11H14FNS — CID 1377206

IUPAC4-[(3-fluorophenyl)methyl]thiomorpholine
SMILESFc1cccc(CN2CCSCC2)c1
InChIInChI=1S/C11H14FNS/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2
InChIKeyNCZPEABQJMHRAM-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.37
Rot. Bonds2

About 4-[(3-fluorophenyl)methyl]thiomorpholine

4-[(3-fluorophenyl)methyl]thiomorpholine (PubChem CID 1377206) has the molecular formula C11H14FNS and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]thiomorpholine
PubChem CID1377206
Molecular FormulaC11H14FNS
Molecular Weight211.31 g/mol
Exact Mass211.08
IUPAC Name4-[(3-fluorophenyl)methyl]thiomorpholine
SMILESFc1cccc(CN2CCSCC2)c1
InChIInChI=1S/C11H14FNS/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2
InChIKeyNCZPEABQJMHRAM-UHFFFAOYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]thiomorpholine?
The IUPAC name of 4-[(3-fluorophenyl)methyl]thiomorpholine (CID 1377206) is 4-[(3-fluorophenyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]thiomorpholine is Fc1cccc(CN2CCSCC2)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]thiomorpholine?
The InChIKey is NCZPEABQJMHRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNS/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13/h1-3,8H,4-7,9H2.
What are the key properties of 4-[(3-fluorophenyl)methyl]thiomorpholine?
4-[(3-fluorophenyl)methyl]thiomorpholine has a molecular weight of 211.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]thiomorpholine is sourced from PubChem (CID 1377206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).