1-methylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane

C11H17F3S — CID 146817721

IUPAC1-methylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane
SMILESC=C1CCC(CSCCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3S/c1-9-2-4-10(5-3-9)8-15-7-6-11(12,13)14/h10H,1-8H2
InChIKeySBKWHIQEAWJDPU-UHFFFAOYSA-N
MW238.32 g/mol
LogP4.42
Rot. Bonds4

About 1-methylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane

1-methylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane (PubChem CID 146817721) has the molecular formula C11H17F3S and a molecular weight of 238.32 g/mol. Its IUPAC name is 1-methylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane.

Molecular Properties

Compound Name1-methylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane
PubChem CID146817721
Molecular FormulaC11H17F3S
Molecular Weight238.32 g/mol
Exact Mass238.10
IUPAC Name1-methylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane
SMILESC=C1CCC(CSCCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3S/c1-9-2-4-10(5-3-9)8-15-7-6-11(12,13)14/h10H,1-8H2
InChIKeySBKWHIQEAWJDPU-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(Trifluoromethylsulfanyl)ethenylcyclohexane
CID 162411757
1-Pentylsulfanylethenylcyclohexane
CID 58150596
1-Methylidene-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane
CID 59378265
4-Methylidene-1-methylsulfanyl-2-(trifluoromethyl)cyclohexane
CID 90922567
10-Ethylsulfanyl-3,8-dimethyl-6-(trifluoromethyl)deca-3,4,5-triene
CID 91016548
1-Methyl-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexene
CID 145543781
1-Ethylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane
CID 163917748
1-(Trifluoromethyl)-4-[4-(trifluoromethyl)cyclohexyl]sulfanylcyclohexene
CID 167148404
3-(Trifluoromethylsulfanyl)prop-1-en-2-ylcyclohexane
CID 125475426
2,5-Dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene
CID 162565819
(4Z)-2-methyl-4-(3,3,3-trifluoropropylsulfanylmethylidene)heptane
CID 162576874
1-(2-Ethylsulfanylethyl)-3-methylidenecyclohexane
CID 158749489

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane?
The IUPAC name of 1-methylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane (CID 146817721) is 1-methylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane.
What is the SMILES notation for 1-methylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane?
The canonical SMILES for 1-methylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane is C=C1CCC(CSCCC(F)(F)F)CC1.
What is the InChIKey of 1-methylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane?
The InChIKey is SBKWHIQEAWJDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3S/c1-9-2-4-10(5-3-9)8-15-7-6-11(12,13)14/h10H,1-8H2.
What are the key properties of 1-methylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane?
1-methylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane has a molecular weight of 238.32 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-4-(3,3,3-trifluoropropylsulfanylmethyl)cyclohexane is sourced from PubChem (CID 146817721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).