1-ethylsulfanyl-2-fluoro-4-methylidenecyclohexane

C9H15FS — CID 91498764

IUPAC1-ethylsulfanyl-2-fluoro-4-methylidenecyclohexane
SMILESC=C1CCC(SCC)C(F)C1
InChIInChI=1S/C9H15FS/c1-3-11-9-5-4-7(2)6-8(9)10/h8-9H,2-6H2,1H3
InChIKeyWCDVKJHXXKTCOM-UHFFFAOYSA-N
MW174.28 g/mol
LogP3.19
Rot. Bonds2

About 1-ethylsulfanyl-2-fluoro-4-methylidenecyclohexane

1-ethylsulfanyl-2-fluoro-4-methylidenecyclohexane (PubChem CID 91498764) has the molecular formula C9H15FS and a molecular weight of 174.28 g/mol. Its IUPAC name is 1-ethylsulfanyl-2-fluoro-4-methylidenecyclohexane.

Molecular Properties

Compound Name1-ethylsulfanyl-2-fluoro-4-methylidenecyclohexane
PubChem CID91498764
Molecular FormulaC9H15FS
Molecular Weight174.28 g/mol
Exact Mass174.09
IUPAC Name1-ethylsulfanyl-2-fluoro-4-methylidenecyclohexane
SMILESC=C1CCC(SCC)C(F)C1
InChIInChI=1S/C9H15FS/c1-3-11-9-5-4-7(2)6-8(9)10/h8-9H,2-6H2,1H3
InChIKeyWCDVKJHXXKTCOM-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methylidene-2-methylsulfanylcyclohexane
CID 14529195
Hex-1-en-2-ylsulfanylcyclohexane
CID 58150586
1,1-Difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene
CID 58962885
2-Fluoro-4-methylidene-1-methylsulfanylcyclohexane
CID 90707277
2-Fluoro-4-methylidene-1-methylsulfinylcyclohexane
CID 90806658
1-(Fluoromethylsulfanyl)-4-methylidenecyclohexane
CID 90970381
1-Ethylsulfinyl-2-fluoro-4-methylidenecyclohexane
CID 91250858
1-Methylidene-3-(trifluoromethylsulfanyl)cyclohexane
CID 91382062
1-Methylidene-4-(trifluoromethylsulfanyl)cyclohexane
CID 91550803
4-Fluoro-2-(prop-1-en-2-ylsulfanylmethyl)but-1-ene
CID 155395560
2-Fluoro-4-methylidene-2-methylsulfanylhexane
CID 167309503
Methylsulfanyl-methylene-cyclohexane
CID 12440543

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-2-fluoro-4-methylidenecyclohexane?
The IUPAC name of 1-ethylsulfanyl-2-fluoro-4-methylidenecyclohexane (CID 91498764) is 1-ethylsulfanyl-2-fluoro-4-methylidenecyclohexane.
What is the SMILES notation for 1-ethylsulfanyl-2-fluoro-4-methylidenecyclohexane?
The canonical SMILES for 1-ethylsulfanyl-2-fluoro-4-methylidenecyclohexane is C=C1CCC(SCC)C(F)C1.
What is the InChIKey of 1-ethylsulfanyl-2-fluoro-4-methylidenecyclohexane?
The InChIKey is WCDVKJHXXKTCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FS/c1-3-11-9-5-4-7(2)6-8(9)10/h8-9H,2-6H2,1H3.
What are the key properties of 1-ethylsulfanyl-2-fluoro-4-methylidenecyclohexane?
1-ethylsulfanyl-2-fluoro-4-methylidenecyclohexane has a molecular weight of 174.28 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-2-fluoro-4-methylidenecyclohexane is sourced from PubChem (CID 91498764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).