1-(4-fluorobutylsulfanyl)undecane

C15H31FS — CID 54210142

IUPAC1-(4-fluorobutylsulfanyl)undecane
SMILESCCCCCCCCCCCSCCCCF
InChIInChI=1S/C15H31FS/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16/h2-15H2,1H3
InChIKeyYKQSMRCWPXFQBF-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.00
Rot. Bonds14

About 1-(4-fluorobutylsulfanyl)undecane

1-(4-fluorobutylsulfanyl)undecane (PubChem CID 54210142) has the molecular formula C15H31FS and a molecular weight of 262.48 g/mol. Its IUPAC name is 1-(4-fluorobutylsulfanyl)undecane.

Molecular Properties

Compound Name1-(4-fluorobutylsulfanyl)undecane
PubChem CID54210142
Molecular FormulaC15H31FS
Molecular Weight262.48 g/mol
Exact Mass262.21
IUPAC Name1-(4-fluorobutylsulfanyl)undecane
SMILESCCCCCCCCCCCSCCCCF
InChIInChI=1S/C15H31FS/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16/h2-15H2,1H3
InChIKeyYKQSMRCWPXFQBF-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813
1-decylsulfanyldecane;hydrofluoride
CID 174965550
1-(3-hexadecylsulfanylpropylsulfanyl)hexadecane
CID 157137838

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobutylsulfanyl)undecane?
The IUPAC name of 1-(4-fluorobutylsulfanyl)undecane (CID 54210142) is 1-(4-fluorobutylsulfanyl)undecane.
What is the SMILES notation for 1-(4-fluorobutylsulfanyl)undecane?
The canonical SMILES for 1-(4-fluorobutylsulfanyl)undecane is CCCCCCCCCCCSCCCCF.
What is the InChIKey of 1-(4-fluorobutylsulfanyl)undecane?
The InChIKey is YKQSMRCWPXFQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31FS/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16/h2-15H2,1H3.
What are the key properties of 1-(4-fluorobutylsulfanyl)undecane?
1-(4-fluorobutylsulfanyl)undecane has a molecular weight of 262.48 g/mol, XLogP of 6.00, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobutylsulfanyl)undecane is sourced from PubChem (CID 54210142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).