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

C10H20FNS — CID 130660531

IUPAC4-(2-fluorobutyl)-3,3-dimethylthiomorpholine
SMILESCCC(F)CN1CCSCC1(C)C
InChIInChI=1S/C10H20FNS/c1-4-9(11)7-12-5-6-13-8-10(12,2)3/h9H,4-8H2,1-3H3
InChIKeyULTZGKNGKCIZBN-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.56
Rot. Bonds3

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

4-(2-fluorobutyl)-3,3-dimethylthiomorpholine (PubChem CID 130660531) has the molecular formula C10H20FNS and a molecular weight of 205.34 g/mol. Its IUPAC name is 4-(2-fluorobutyl)-3,3-dimethylthiomorpholine.

Molecular Properties

Compound Name4-(2-fluorobutyl)-3,3-dimethylthiomorpholine
PubChem CID130660531
Molecular FormulaC10H20FNS
Molecular Weight205.34 g/mol
Exact Mass205.13
IUPAC Name4-(2-fluorobutyl)-3,3-dimethylthiomorpholine
SMILESCCC(F)CN1CCSCC1(C)C
InChIInChI=1S/C10H20FNS/c1-4-9(11)7-12-5-6-13-8-10(12,2)3/h9H,4-8H2,1-3H3
InChIKeyULTZGKNGKCIZBN-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)-3,3-dimethylthiomorpholine?
The IUPAC name of 4-(2-fluorobutyl)-3,3-dimethylthiomorpholine (CID 130660531) is 4-(2-fluorobutyl)-3,3-dimethylthiomorpholine.
What is the SMILES notation for 4-(2-fluorobutyl)-3,3-dimethylthiomorpholine?
The canonical SMILES for 4-(2-fluorobutyl)-3,3-dimethylthiomorpholine is CCC(F)CN1CCSCC1(C)C.
What is the InChIKey of 4-(2-fluorobutyl)-3,3-dimethylthiomorpholine?
The InChIKey is ULTZGKNGKCIZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNS/c1-4-9(11)7-12-5-6-13-8-10(12,2)3/h9H,4-8H2,1-3H3.
What are the key properties of 4-(2-fluorobutyl)-3,3-dimethylthiomorpholine?
4-(2-fluorobutyl)-3,3-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)-3,3-dimethylthiomorpholine is sourced from PubChem (CID 130660531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).