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

C10H20FNS — CID 154703723

IUPAC4-(4-fluorobutyl)-2,2-dimethylthiomorpholine
SMILESCC1(C)CN(CCCCF)CCS1
InChIInChI=1S/C10H20FNS/c1-10(2)9-12(7-8-13-10)6-4-3-5-11/h3-9H2,1-2H3
InChIKeyNRIUEZQZVYYNLZ-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.56
Rot. Bonds4

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

4-(4-fluorobutyl)-2,2-dimethylthiomorpholine (PubChem CID 154703723) has the molecular formula C10H20FNS and a molecular weight of 205.34 g/mol. Its IUPAC name is 4-(4-fluorobutyl)-2,2-dimethylthiomorpholine.

Molecular Properties

Compound Name4-(4-fluorobutyl)-2,2-dimethylthiomorpholine
PubChem CID154703723
Molecular FormulaC10H20FNS
Molecular Weight205.34 g/mol
Exact Mass205.13
IUPAC Name4-(4-fluorobutyl)-2,2-dimethylthiomorpholine
SMILESCC1(C)CN(CCCCF)CCS1
InChIInChI=1S/C10H20FNS/c1-10(2)9-12(7-8-13-10)6-4-3-5-11/h3-9H2,1-2H3
InChIKeyNRIUEZQZVYYNLZ-UHFFFAOYSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-4-(pent-4-yn-1-yl)thiomorpholine
CID 115873226
2,2-Dimethyl-4-(3-methylbutyl)thiomorpholine
CID 130726719
1-Ethyl-3-ethylsulfanyl-4,4-difluoropiperidine
CID 166778105
4-Butylthiomorpholine
CID 12517933
4-(3-Fluoropropyl)-2,2-dimethylthiomorpholine
CID 126995601
3-Fluoro-4-methyl-1-(2-methylsulfanylethyl)piperidine
CID 126995983
4-(2,2-Difluoroethyl)-2-propan-2-ylthiomorpholine
CID 127000260
4-(3-Fluoropropyl)-2,3-dimethylthiomorpholine
CID 127497755
4-(3-Fluorobutyl)-2,2-dimethylthiomorpholine
CID 128361709
4-(3-Fluoropropyl)-2,6-dimethyl-1,4-thiazinane 1-oxide
CID 130627588
4-[(1-Fluorocyclopropyl)methyl]-2-methylthiomorpholine
CID 130659309
4-(2-Fluorobutyl)-3,3-dimethylthiomorpholine
CID 130660531

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobutyl)-2,2-dimethylthiomorpholine?
The IUPAC name of 4-(4-fluorobutyl)-2,2-dimethylthiomorpholine (CID 154703723) is 4-(4-fluorobutyl)-2,2-dimethylthiomorpholine.
What is the SMILES notation for 4-(4-fluorobutyl)-2,2-dimethylthiomorpholine?
The canonical SMILES for 4-(4-fluorobutyl)-2,2-dimethylthiomorpholine is CC1(C)CN(CCCCF)CCS1.
What is the InChIKey of 4-(4-fluorobutyl)-2,2-dimethylthiomorpholine?
The InChIKey is NRIUEZQZVYYNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNS/c1-10(2)9-12(7-8-13-10)6-4-3-5-11/h3-9H2,1-2H3.
What are the key properties of 4-(4-fluorobutyl)-2,2-dimethylthiomorpholine?
4-(4-fluorobutyl)-2,2-dimethylthiomorpholine has a molecular weight of 205.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobutyl)-2,2-dimethylthiomorpholine is sourced from PubChem (CID 154703723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).