4-(2-fluorobutyl)-3,5-dimethylthiomorpholine

C10H20FNS — CID 131085925

IUPAC4-(2-fluorobutyl)-3,5-dimethylthiomorpholine
SMILESCCC(F)CN1C(C)CSCC1C
InChIInChI=1S/C10H20FNS/c1-4-10(11)5-12-8(2)6-13-7-9(12)3/h8-10H,4-7H2,1-3H3
InChIKeyBAHSEMRPYFXGAW-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.56
Rot. Bonds3

About 4-(2-fluorobutyl)-3,5-dimethylthiomorpholine

4-(2-fluorobutyl)-3,5-dimethylthiomorpholine (PubChem CID 131085925) has the molecular formula C10H20FNS and a molecular weight of 205.34 g/mol. Its IUPAC name is 4-(2-fluorobutyl)-3,5-dimethylthiomorpholine.

Molecular Properties

Compound Name4-(2-fluorobutyl)-3,5-dimethylthiomorpholine
PubChem CID131085925
Molecular FormulaC10H20FNS
Molecular Weight205.34 g/mol
Exact Mass205.13
IUPAC Name4-(2-fluorobutyl)-3,5-dimethylthiomorpholine
SMILESCCC(F)CN1C(C)CSCC1C
InChIInChI=1S/C10H20FNS/c1-4-10(11)5-12-8(2)6-13-7-9(12)3/h8-10H,4-7H2,1-3H3
InChIKeyBAHSEMRPYFXGAW-UHFFFAOYSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorobutyl)-3,5-dimethylthiomorpholine?
The IUPAC name of 4-(2-fluorobutyl)-3,5-dimethylthiomorpholine (CID 131085925) is 4-(2-fluorobutyl)-3,5-dimethylthiomorpholine.
What is the SMILES notation for 4-(2-fluorobutyl)-3,5-dimethylthiomorpholine?
The canonical SMILES for 4-(2-fluorobutyl)-3,5-dimethylthiomorpholine is CCC(F)CN1C(C)CSCC1C.
What is the InChIKey of 4-(2-fluorobutyl)-3,5-dimethylthiomorpholine?
The InChIKey is BAHSEMRPYFXGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNS/c1-4-10(11)5-12-8(2)6-13-7-9(12)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-(2-fluorobutyl)-3,5-dimethylthiomorpholine?
4-(2-fluorobutyl)-3,5-dimethylthiomorpholine has a molecular weight of 205.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorobutyl)-3,5-dimethylthiomorpholine is sourced from PubChem (CID 131085925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).