4-(3-fluorobutyl)-2-methylthiomorpholine

C9H18FNS — CID 131155155

IUPAC4-(3-fluorobutyl)-2-methylthiomorpholine
SMILESCC(F)CCN1CCSC(C)C1
InChIInChI=1S/C9H18FNS/c1-8(10)3-4-11-5-6-12-9(2)7-11/h8-9H,3-7H2,1-2H3
InChIKeyCLDWYIBBFYNSOP-UHFFFAOYSA-N
MW191.31 g/mol
LogP2.17
Rot. Bonds3

About 4-(3-fluorobutyl)-2-methylthiomorpholine

4-(3-fluorobutyl)-2-methylthiomorpholine (PubChem CID 131155155) has the molecular formula C9H18FNS and a molecular weight of 191.31 g/mol. Its IUPAC name is 4-(3-fluorobutyl)-2-methylthiomorpholine.

Molecular Properties

Compound Name4-(3-fluorobutyl)-2-methylthiomorpholine
PubChem CID131155155
Molecular FormulaC9H18FNS
Molecular Weight191.31 g/mol
Exact Mass191.11
IUPAC Name4-(3-fluorobutyl)-2-methylthiomorpholine
SMILESCC(F)CCN1CCSC(C)C1
InChIInChI=1S/C9H18FNS/c1-8(10)3-4-11-5-6-12-9(2)7-11/h8-9H,3-7H2,1-2H3
InChIKeyCLDWYIBBFYNSOP-UHFFFAOYSA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobutyl)-2-methylthiomorpholine?
The IUPAC name of 4-(3-fluorobutyl)-2-methylthiomorpholine (CID 131155155) is 4-(3-fluorobutyl)-2-methylthiomorpholine.
What is the SMILES notation for 4-(3-fluorobutyl)-2-methylthiomorpholine?
The canonical SMILES for 4-(3-fluorobutyl)-2-methylthiomorpholine is CC(F)CCN1CCSC(C)C1.
What is the InChIKey of 4-(3-fluorobutyl)-2-methylthiomorpholine?
The InChIKey is CLDWYIBBFYNSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNS/c1-8(10)3-4-11-5-6-12-9(2)7-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(3-fluorobutyl)-2-methylthiomorpholine?
4-(3-fluorobutyl)-2-methylthiomorpholine has a molecular weight of 191.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorobutyl)-2-methylthiomorpholine is sourced from PubChem (CID 131155155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).