1-ethylsulfanyl-1-(fluoromethyl)cyclohexane

C9H17FS — CID 143105735

IUPAC1-ethylsulfanyl-1-(fluoromethyl)cyclohexane
SMILESCCSC1(CF)CCCCC1
InChIInChI=1S/C9H17FS/c1-2-11-9(8-10)6-4-3-5-7-9/h2-8H2,1H3
InChIKeyYTHJNYDBYHWTJO-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.41
Rot. Bonds3

About 1-ethylsulfanyl-1-(fluoromethyl)cyclohexane

1-ethylsulfanyl-1-(fluoromethyl)cyclohexane (PubChem CID 143105735) has the molecular formula C9H17FS and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-ethylsulfanyl-1-(fluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-ethylsulfanyl-1-(fluoromethyl)cyclohexane
PubChem CID143105735
Molecular FormulaC9H17FS
Molecular Weight176.30 g/mol
Exact Mass176.10
IUPAC Name1-ethylsulfanyl-1-(fluoromethyl)cyclohexane
SMILESCCSC1(CF)CCCCC1
InChIInChI=1S/C9H17FS/c1-2-11-9(8-10)6-4-3-5-7-9/h2-8H2,1H3
InChIKeyYTHJNYDBYHWTJO-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-1-(fluoromethyl)cyclohexane?
The IUPAC name of 1-ethylsulfanyl-1-(fluoromethyl)cyclohexane (CID 143105735) is 1-ethylsulfanyl-1-(fluoromethyl)cyclohexane.
What is the SMILES notation for 1-ethylsulfanyl-1-(fluoromethyl)cyclohexane?
The canonical SMILES for 1-ethylsulfanyl-1-(fluoromethyl)cyclohexane is CCSC1(CF)CCCCC1.
What is the InChIKey of 1-ethylsulfanyl-1-(fluoromethyl)cyclohexane?
The InChIKey is YTHJNYDBYHWTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FS/c1-2-11-9(8-10)6-4-3-5-7-9/h2-8H2,1H3.
What are the key properties of 1-ethylsulfanyl-1-(fluoromethyl)cyclohexane?
1-ethylsulfanyl-1-(fluoromethyl)cyclohexane has a molecular weight of 176.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-1-(fluoromethyl)cyclohexane is sourced from PubChem (CID 143105735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).