4-fluoro-1-(4-fluorohexylsulfinyl)hexane

C12H24F2OS — CID 87925507

IUPAC4-fluoro-1-(4-fluorohexylsulfinyl)hexane
SMILESCCC(F)CCCS(=O)CCCC(F)CC
InChIInChI=1S/C12H24F2OS/c1-3-11(13)7-5-9-16(15)10-6-8-12(14)4-2/h11-12H,3-10H2,1-2H3
InChIKeyUHZKSKSRRMPMSG-UHFFFAOYSA-N
MW254.39 g/mol
LogP3.79
Rot. Bonds10

About 4-fluoro-1-(4-fluorohexylsulfinyl)hexane

4-fluoro-1-(4-fluorohexylsulfinyl)hexane (PubChem CID 87925507) has the molecular formula C12H24F2OS and a molecular weight of 254.39 g/mol. Its IUPAC name is 4-fluoro-1-(4-fluorohexylsulfinyl)hexane.

Molecular Properties

Compound Name4-fluoro-1-(4-fluorohexylsulfinyl)hexane
PubChem CID87925507
Molecular FormulaC12H24F2OS
Molecular Weight254.39 g/mol
Exact Mass254.15
IUPAC Name4-fluoro-1-(4-fluorohexylsulfinyl)hexane
SMILESCCC(F)CCCS(=O)CCCC(F)CC
InChIInChI=1S/C12H24F2OS/c1-3-11(13)7-5-9-16(15)10-6-8-12(14)4-2/h11-12H,3-10H2,1-2H3
InChIKeyUHZKSKSRRMPMSG-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-pentylsulfinylpentan-2-amine
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(2R)-2,9-difluoro-3-nitroundecane
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1-(2-fluoroethylsulfinyl)pentane
CID 56992126
5-fluorononane
CID 14113820
2-(4-fluorohexylsulfanyl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(4-fluorohexylsulfinyl)hexane?
The IUPAC name of 4-fluoro-1-(4-fluorohexylsulfinyl)hexane (CID 87925507) is 4-fluoro-1-(4-fluorohexylsulfinyl)hexane.
What is the SMILES notation for 4-fluoro-1-(4-fluorohexylsulfinyl)hexane?
The canonical SMILES for 4-fluoro-1-(4-fluorohexylsulfinyl)hexane is CCC(F)CCCS(=O)CCCC(F)CC.
What is the InChIKey of 4-fluoro-1-(4-fluorohexylsulfinyl)hexane?
The InChIKey is UHZKSKSRRMPMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2OS/c1-3-11(13)7-5-9-16(15)10-6-8-12(14)4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-fluoro-1-(4-fluorohexylsulfinyl)hexane?
4-fluoro-1-(4-fluorohexylsulfinyl)hexane has a molecular weight of 254.39 g/mol, XLogP of 3.79, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(4-fluorohexylsulfinyl)hexane is sourced from PubChem (CID 87925507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).