4-[2-(bromomethyl)-4-fluorophenyl]thiomorpholine

C11H13BrFNS — CID 107079726

IUPAC4-[2-(bromomethyl)-4-fluorophenyl]thiomorpholine
SMILESFc1ccc(N2CCSCC2)c(CBr)c1
InChIInChI=1S/C11H13BrFNS/c12-8-9-7-10(13)1-2-11(9)14-3-5-15-6-4-14/h1-2,7H,3-6,8H2
InChIKeyRAAXJXAGNPWWKE-UHFFFAOYSA-N
MW290.20 g/mol
LogP3.27
Rot. Bonds2

About 4-[2-(bromomethyl)-4-fluorophenyl]thiomorpholine

4-[2-(bromomethyl)-4-fluorophenyl]thiomorpholine (PubChem CID 107079726) has the molecular formula C11H13BrFNS and a molecular weight of 290.20 g/mol. Its IUPAC name is 4-[2-(bromomethyl)-4-fluorophenyl]thiomorpholine.

Molecular Properties

Compound Name4-[2-(bromomethyl)-4-fluorophenyl]thiomorpholine
PubChem CID107079726
Molecular FormulaC11H13BrFNS
Molecular Weight290.20 g/mol
Exact Mass288.99
IUPAC Name4-[2-(bromomethyl)-4-fluorophenyl]thiomorpholine
SMILESFc1ccc(N2CCSCC2)c(CBr)c1
InChIInChI=1S/C11H13BrFNS/c12-8-9-7-10(13)1-2-11(9)14-3-5-15-6-4-14/h1-2,7H,3-6,8H2
InChIKeyRAAXJXAGNPWWKE-UHFFFAOYSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[2-(bromomethyl)-4-fluorophenyl]-7,7-dimethyl-1,4-thiazepane
CID 107456786
4-[2-(chloromethyl)-4-fluorophenyl]-1,4-thiazepane
CID 61419199
N-[[5-fluoro-2-(1,4-thiazepan-4-yl)phenyl]methyl]propan-2-amine
CID 61419095
1-[2-(bromomethyl)-4-fluorophenyl]-4-(methoxymethyl)piperidine
CID 107083831
1-[2-(bromomethyl)-4-fluorophenyl]-3,4-dimethylpiperidine
CID 107085212
5-fluoro-2-thiomorpholin-4-ylbenzoic acid
CID 171782891
1-[1-[2-(bromomethyl)-4-fluorophenyl]pyrrolidin-3-yl]piperidine
CID 107083325
4-(4-fluoro-2-nitrophenyl)thiomorpholine
CID 52679103
1-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-5-fluorophenyl]propan-2-amine
CID 107459857
4-[2-(bromomethyl)-4-fluorophenyl]-3,3-dimethylmorpholine
CID 107081189
[2-thiomorpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine
CID 43528577
1-(5-fluoro-2-piperidin-1-ylphenyl)-2-methylpropan-2-amine
CID 117379877

Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)-4-fluorophenyl]thiomorpholine?
The IUPAC name of 4-[2-(bromomethyl)-4-fluorophenyl]thiomorpholine (CID 107079726) is 4-[2-(bromomethyl)-4-fluorophenyl]thiomorpholine.
What is the SMILES notation for 4-[2-(bromomethyl)-4-fluorophenyl]thiomorpholine?
The canonical SMILES for 4-[2-(bromomethyl)-4-fluorophenyl]thiomorpholine is Fc1ccc(N2CCSCC2)c(CBr)c1.
What is the InChIKey of 4-[2-(bromomethyl)-4-fluorophenyl]thiomorpholine?
The InChIKey is RAAXJXAGNPWWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNS/c12-8-9-7-10(13)1-2-11(9)14-3-5-15-6-4-14/h1-2,7H,3-6,8H2.
What are the key properties of 4-[2-(bromomethyl)-4-fluorophenyl]thiomorpholine?
4-[2-(bromomethyl)-4-fluorophenyl]thiomorpholine has a molecular weight of 290.20 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)-4-fluorophenyl]thiomorpholine is sourced from PubChem (CID 107079726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).