1-fluoroethenylsulfanylcyclohexane

C8H13FS — CID 135064202

IUPAC1-fluoroethenylsulfanylcyclohexane
SMILESC=C(F)SC1CCCCC1
InChIInChI=1S/C8H13FS/c1-7(9)10-8-5-3-2-4-6-8/h8H,1-6H2
InChIKeyKKOBNEJKNISDSU-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.49
Rot. Bonds2

About 1-fluoroethenylsulfanylcyclohexane

1-fluoroethenylsulfanylcyclohexane (PubChem CID 135064202) has the molecular formula C8H13FS and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-fluoroethenylsulfanylcyclohexane.

Molecular Properties

Compound Name1-fluoroethenylsulfanylcyclohexane
PubChem CID135064202
Molecular FormulaC8H13FS
Molecular Weight160.26 g/mol
Exact Mass160.07
IUPAC Name1-fluoroethenylsulfanylcyclohexane
SMILESC=C(F)SC1CCCCC1
InChIInChI=1S/C8H13FS/c1-7(9)10-8-5-3-2-4-6-8/h8H,1-6H2
InChIKeyKKOBNEJKNISDSU-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoroethenylsulfanylcyclohexane?
The IUPAC name of 1-fluoroethenylsulfanylcyclohexane (CID 135064202) is 1-fluoroethenylsulfanylcyclohexane.
What is the SMILES notation for 1-fluoroethenylsulfanylcyclohexane?
The canonical SMILES for 1-fluoroethenylsulfanylcyclohexane is C=C(F)SC1CCCCC1.
What is the InChIKey of 1-fluoroethenylsulfanylcyclohexane?
The InChIKey is KKOBNEJKNISDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FS/c1-7(9)10-8-5-3-2-4-6-8/h8H,1-6H2.
What are the key properties of 1-fluoroethenylsulfanylcyclohexane?
1-fluoroethenylsulfanylcyclohexane has a molecular weight of 160.26 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethenylsulfanylcyclohexane is sourced from PubChem (CID 135064202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).