1-(fluoromethylsulfanyl)-4-methylidenecyclohexane

C8H13FS — CID 90970381

IUPAC1-(fluoromethylsulfanyl)-4-methylidenecyclohexane
SMILESC=C1CCC(SCF)CC1
InChIInChI=1S/C8H13FS/c1-7-2-4-8(5-3-7)10-6-9/h8H,1-6H2
InChIKeyLORXAZNFSXENOX-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.15
Rot. Bonds2

About 1-(fluoromethylsulfanyl)-4-methylidenecyclohexane

1-(fluoromethylsulfanyl)-4-methylidenecyclohexane (PubChem CID 90970381) has the molecular formula C8H13FS and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-(fluoromethylsulfanyl)-4-methylidenecyclohexane.

Molecular Properties

Compound Name1-(fluoromethylsulfanyl)-4-methylidenecyclohexane
PubChem CID90970381
Molecular FormulaC8H13FS
Molecular Weight160.26 g/mol
Exact Mass160.07
IUPAC Name1-(fluoromethylsulfanyl)-4-methylidenecyclohexane
SMILESC=C1CCC(SCF)CC1
InChIInChI=1S/C8H13FS/c1-7-2-4-8(5-3-7)10-6-9/h8H,1-6H2
InChIKeyLORXAZNFSXENOX-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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
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-Methylidene-3-(trifluoromethylsulfanyl)cyclohexane
CID 91382062
1-Ethylsulfanyl-2-fluoro-4-methylidenecyclohexane
CID 91498764
1-(Fluoromethylsulfinyl)-4-methylidenecyclohexane
CID 91548703
1-Methylidene-4-(trifluoromethylsulfanyl)cyclohexane
CID 91550803
2-Fluoro-4-methylidene-2-methylsulfanylhexane
CID 167309503
7-Thiabicyclo[4.2.0]oct-1(8)-ene
CID 134896334
1-Ethylsulfanyl-3-methylidenecyclohexane
CID 86130259
1-Methylidene-4-methylsulfanylcyclohexane
CID 90711684

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethylsulfanyl)-4-methylidenecyclohexane?
The IUPAC name of 1-(fluoromethylsulfanyl)-4-methylidenecyclohexane (CID 90970381) is 1-(fluoromethylsulfanyl)-4-methylidenecyclohexane.
What is the SMILES notation for 1-(fluoromethylsulfanyl)-4-methylidenecyclohexane?
The canonical SMILES for 1-(fluoromethylsulfanyl)-4-methylidenecyclohexane is C=C1CCC(SCF)CC1.
What is the InChIKey of 1-(fluoromethylsulfanyl)-4-methylidenecyclohexane?
The InChIKey is LORXAZNFSXENOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FS/c1-7-2-4-8(5-3-7)10-6-9/h8H,1-6H2.
What are the key properties of 1-(fluoromethylsulfanyl)-4-methylidenecyclohexane?
1-(fluoromethylsulfanyl)-4-methylidenecyclohexane has a molecular weight of 160.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethylsulfanyl)-4-methylidenecyclohexane is sourced from PubChem (CID 90970381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).