1,1-difluoro-4-(2-methylsulfanylethyl)cyclohexane

C9H16F2S — CID 134254898

IUPAC1,1-difluoro-4-(2-methylsulfanylethyl)cyclohexane
SMILESCSCCC1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2S/c1-12-7-4-8-2-5-9(10,11)6-3-8/h8H,2-7H2,1H3
InChIKeyDQDIPSMQWHCAOO-UHFFFAOYSA-N
MW194.29 g/mol
LogP3.57
Rot. Bonds3

About 1,1-difluoro-4-(2-methylsulfanylethyl)cyclohexane

1,1-difluoro-4-(2-methylsulfanylethyl)cyclohexane (PubChem CID 134254898) has the molecular formula C9H16F2S and a molecular weight of 194.29 g/mol. Its IUPAC name is 1,1-difluoro-4-(2-methylsulfanylethyl)cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-(2-methylsulfanylethyl)cyclohexane
PubChem CID134254898
Molecular FormulaC9H16F2S
Molecular Weight194.29 g/mol
Exact Mass194.09
IUPAC Name1,1-difluoro-4-(2-methylsulfanylethyl)cyclohexane
SMILESCSCCC1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2S/c1-12-7-4-8-2-5-9(10,11)6-3-8/h8H,2-7H2,1H3
InChIKeyDQDIPSMQWHCAOO-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-(2-methylsulfanylethyl)cyclohexane?
The IUPAC name of 1,1-difluoro-4-(2-methylsulfanylethyl)cyclohexane (CID 134254898) is 1,1-difluoro-4-(2-methylsulfanylethyl)cyclohexane.
What is the SMILES notation for 1,1-difluoro-4-(2-methylsulfanylethyl)cyclohexane?
The canonical SMILES for 1,1-difluoro-4-(2-methylsulfanylethyl)cyclohexane is CSCCC1CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-(2-methylsulfanylethyl)cyclohexane?
The InChIKey is DQDIPSMQWHCAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2S/c1-12-7-4-8-2-5-9(10,11)6-3-8/h8H,2-7H2,1H3.
What are the key properties of 1,1-difluoro-4-(2-methylsulfanylethyl)cyclohexane?
1,1-difluoro-4-(2-methylsulfanylethyl)cyclohexane has a molecular weight of 194.29 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-(2-methylsulfanylethyl)cyclohexane is sourced from PubChem (CID 134254898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).