1-(difluoromethylsulfanyl)hexane

C7H14F2S — CID 162535464

IUPAC1-(difluoromethylsulfanyl)hexane
SMILESCCCCCCSC(F)F
InChIInChI=1S/C7H14F2S/c1-2-3-4-5-6-10-7(8)9/h7H,2-6H2,1H3
InChIKeyZKHLIJCAGLPUGS-UHFFFAOYSA-N
MW168.25 g/mol
LogP3.52
Rot. Bonds6

About 1-(difluoromethylsulfanyl)hexane

1-(difluoromethylsulfanyl)hexane (PubChem CID 162535464) has the molecular formula C7H14F2S and a molecular weight of 168.25 g/mol. Its IUPAC name is 1-(difluoromethylsulfanyl)hexane.

Molecular Properties

Compound Name1-(difluoromethylsulfanyl)hexane
PubChem CID162535464
Molecular FormulaC7H14F2S
Molecular Weight168.25 g/mol
Exact Mass168.08
IUPAC Name1-(difluoromethylsulfanyl)hexane
SMILESCCCCCCSC(F)F
InChIInChI=1S/C7H14F2S/c1-2-3-4-5-6-10-7(8)9/h7H,2-6H2,1H3
InChIKeyZKHLIJCAGLPUGS-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 53.52
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-(difluoromethylsulfanyl)hexane?
The IUPAC name of 1-(difluoromethylsulfanyl)hexane (CID 162535464) is 1-(difluoromethylsulfanyl)hexane.
What is the SMILES notation for 1-(difluoromethylsulfanyl)hexane?
The canonical SMILES for 1-(difluoromethylsulfanyl)hexane is CCCCCCSC(F)F.
What is the InChIKey of 1-(difluoromethylsulfanyl)hexane?
The InChIKey is ZKHLIJCAGLPUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2S/c1-2-3-4-5-6-10-7(8)9/h7H,2-6H2,1H3.
What are the key properties of 1-(difluoromethylsulfanyl)hexane?
1-(difluoromethylsulfanyl)hexane has a molecular weight of 168.25 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfanyl)hexane is sourced from PubChem (CID 162535464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).