4-(2-fluorobutyl)-2,6-dimethylthiomorpholine

C10H20FNS — CID 131067271

IUPAC4-(2-fluorobutyl)-2,6-dimethylthiomorpholine
SMILESCCC(F)CN1CC(C)SC(C)C1
InChIInChI=1S/C10H20FNS/c1-4-10(11)7-12-5-8(2)13-9(3)6-12/h8-10H,4-7H2,1-3H3
InChIKeyADZFYELURMBWRL-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.56
Rot. Bonds3

About 4-(2-fluorobutyl)-2,6-dimethylthiomorpholine

4-(2-fluorobutyl)-2,6-dimethylthiomorpholine (PubChem CID 131067271) has the molecular formula C10H20FNS and a molecular weight of 205.34 g/mol. Its IUPAC name is 4-(2-fluorobutyl)-2,6-dimethylthiomorpholine.

Molecular Properties

Compound Name4-(2-fluorobutyl)-2,6-dimethylthiomorpholine
PubChem CID131067271
Molecular FormulaC10H20FNS
Molecular Weight205.34 g/mol
Exact Mass205.13
IUPAC Name4-(2-fluorobutyl)-2,6-dimethylthiomorpholine
SMILESCCC(F)CN1CC(C)SC(C)C1
InChIInChI=1S/C10H20FNS/c1-4-10(11)7-12-5-8(2)13-9(3)6-12/h8-10H,4-7H2,1-3H3
InChIKeyADZFYELURMBWRL-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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Related Compounds

4-Hexylthiomorpholine
CID 11424017
(r,s)-3-Isopropylsulfanyl-1-methyl-piperidine
CID 15063103
2,2-Dimethyl-4-(3-methylbutyl)thiomorpholine
CID 130726719
3-Ethylsulfanyl-1-methylpiperidine
CID 15063101
3,3-Difluoro-1-methylpyrrolidine;4-methylthiomorpholine
CID 143268139
4-Methyl-2-(trifluoromethyl)thiomorpholine
CID 145167716
3-Ethylsulfanyl-4,4-difluoro-1-methylpiperidine
CID 146631131
1-Ethyl-3-ethylsulfanyl-4,4-difluoropiperidine
CID 166778105
4-Fluoro-4-methylsulfanyl-1-propylpiperidine
CID 167009284
1-Ethyl-3-fluoro-3-methylsulfanylpiperidine
CID 167009401
4,4-Difluoro-1-(3-methylsulfanylpropyl)piperidine
CID 169957773
4-Butylthiomorpholine
CID 12517933

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorobutyl)-2,6-dimethylthiomorpholine?
The IUPAC name of 4-(2-fluorobutyl)-2,6-dimethylthiomorpholine (CID 131067271) is 4-(2-fluorobutyl)-2,6-dimethylthiomorpholine.
What is the SMILES notation for 4-(2-fluorobutyl)-2,6-dimethylthiomorpholine?
The canonical SMILES for 4-(2-fluorobutyl)-2,6-dimethylthiomorpholine is CCC(F)CN1CC(C)SC(C)C1.
What is the InChIKey of 4-(2-fluorobutyl)-2,6-dimethylthiomorpholine?
The InChIKey is ADZFYELURMBWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNS/c1-4-10(11)7-12-5-8(2)13-9(3)6-12/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-(2-fluorobutyl)-2,6-dimethylthiomorpholine?
4-(2-fluorobutyl)-2,6-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)-2,6-dimethylthiomorpholine is sourced from PubChem (CID 131067271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).