1-ethylsulfanyl-2-fluorocyclohexane

C8H15FS — CID 66796045

IUPAC1-ethylsulfanyl-2-fluorocyclohexane
SMILESCCSC1CCCCC1F
InChIInChI=1S/C8H15FS/c1-2-10-8-6-4-3-5-7(8)9/h7-8H,2-6H2,1H3
InChIKeyNVMWOHXXFDFSJI-UHFFFAOYSA-N
MW162.27 g/mol
LogP3.02
Rot. Bonds2

About 1-ethylsulfanyl-2-fluorocyclohexane

1-ethylsulfanyl-2-fluorocyclohexane (PubChem CID 66796045) has the molecular formula C8H15FS and a molecular weight of 162.27 g/mol. Its IUPAC name is 1-ethylsulfanyl-2-fluorocyclohexane.

Molecular Properties

Compound Name1-ethylsulfanyl-2-fluorocyclohexane
PubChem CID66796045
Molecular FormulaC8H15FS
Molecular Weight162.27 g/mol
Exact Mass162.09
IUPAC Name1-ethylsulfanyl-2-fluorocyclohexane
SMILESCCSC1CCCCC1F
InChIInChI=1S/C8H15FS/c1-2-10-8-6-4-3-5-7(8)9/h7-8H,2-6H2,1H3
InChIKeyNVMWOHXXFDFSJI-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Sulfide, tert-butyl cyclohexyl
CID 546037
(1R,2R)-1-Fluoro-2-methylsulfanylcyclohexane
CID 14113327
Cyclohexane, (pentylthio)-
CID 557453
Cyclohexane, (heptylthio)-
CID 557517
Sulfide, cyclohexyl propyl
CID 557549
Sulfide, cyclohexyl isopropyl
CID 557550
(Ethylsulfanyl)cyclohexane
CID 557553
Sulfide, butyl cyclohexyl
CID 557554
Cyclohexane, ((1-methylpropyl)thio)-
CID 588508
1-Fluoroethenylsulfanylcyclohexane
CID 135064202
1,1-Difluoroethylsulfanylcyclohexane
CID 135080428
trans-(1S,2S)-1-fluoro-2-methylsulfanylcyclohexane
CID 15939465

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-2-fluorocyclohexane?
The IUPAC name of 1-ethylsulfanyl-2-fluorocyclohexane (CID 66796045) is 1-ethylsulfanyl-2-fluorocyclohexane.
What is the SMILES notation for 1-ethylsulfanyl-2-fluorocyclohexane?
The canonical SMILES for 1-ethylsulfanyl-2-fluorocyclohexane is CCSC1CCCCC1F.
What is the InChIKey of 1-ethylsulfanyl-2-fluorocyclohexane?
The InChIKey is NVMWOHXXFDFSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FS/c1-2-10-8-6-4-3-5-7(8)9/h7-8H,2-6H2,1H3.
What are the key properties of 1-ethylsulfanyl-2-fluorocyclohexane?
1-ethylsulfanyl-2-fluorocyclohexane has a molecular weight of 162.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-2-fluorocyclohexane is sourced from PubChem (CID 66796045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).