1-fluoro-4-(1-methylsulfanylethyl)cyclohexane

C9H17FS — CID 155261580

IUPAC1-fluoro-4-(1-methylsulfanylethyl)cyclohexane
SMILESCSC(C)C1CCC(F)CC1
InChIInChI=1S/C9H17FS/c1-7(11-2)8-3-5-9(10)6-4-8/h7-9H,3-6H2,1-2H3
InChIKeySRWBDICJDPOOMS-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.27
Rot. Bonds2

About 1-fluoro-4-(1-methylsulfanylethyl)cyclohexane

1-fluoro-4-(1-methylsulfanylethyl)cyclohexane (PubChem CID 155261580) has the molecular formula C9H17FS and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-fluoro-4-(1-methylsulfanylethyl)cyclohexane.

Molecular Properties

Compound Name1-fluoro-4-(1-methylsulfanylethyl)cyclohexane
PubChem CID155261580
Molecular FormulaC9H17FS
Molecular Weight176.30 g/mol
Exact Mass176.10
IUPAC Name1-fluoro-4-(1-methylsulfanylethyl)cyclohexane
SMILESCSC(C)C1CCC(F)CC1
InChIInChI=1S/C9H17FS/c1-7(11-2)8-3-5-9(10)6-4-8/h7-9H,3-6H2,1-2H3
InChIKeySRWBDICJDPOOMS-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(1-methylsulfanylethyl)cyclohexane?
The IUPAC name of 1-fluoro-4-(1-methylsulfanylethyl)cyclohexane (CID 155261580) is 1-fluoro-4-(1-methylsulfanylethyl)cyclohexane.
What is the SMILES notation for 1-fluoro-4-(1-methylsulfanylethyl)cyclohexane?
The canonical SMILES for 1-fluoro-4-(1-methylsulfanylethyl)cyclohexane is CSC(C)C1CCC(F)CC1.
What is the InChIKey of 1-fluoro-4-(1-methylsulfanylethyl)cyclohexane?
The InChIKey is SRWBDICJDPOOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FS/c1-7(11-2)8-3-5-9(10)6-4-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-fluoro-4-(1-methylsulfanylethyl)cyclohexane?
1-fluoro-4-(1-methylsulfanylethyl)cyclohexane has a molecular weight of 176.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(1-methylsulfanylethyl)cyclohexane is sourced from PubChem (CID 155261580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).