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

C11H17F3O2S — CID 59378265

IUPAC1-methylidene-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane
SMILESC=C1CCC(CS(=O)(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3O2S/c1-9-2-4-10(5-3-9)8-17(15,16)7-6-11(12,13)14/h10H,1-8H2
InChIKeyIWGONFUMKDFZCH-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.10
Rot. Bonds4

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

1-methylidene-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane (PubChem CID 59378265) has the molecular formula C11H17F3O2S and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-methylidene-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane.

Molecular Properties

Compound Name1-methylidene-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane
PubChem CID59378265
Molecular FormulaC11H17F3O2S
Molecular Weight270.32 g/mol
Exact Mass270.09
IUPAC Name1-methylidene-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane
SMILESC=C1CCC(CS(=O)(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3O2S/c1-9-2-4-10(5-3-9)8-17(15,16)7-6-11(12,13)14/h10H,1-8H2
InChIKeyIWGONFUMKDFZCH-UHFFFAOYSA-N
XLogP3.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylidene-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane?
The IUPAC name of 1-methylidene-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane (CID 59378265) is 1-methylidene-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane.
What is the SMILES notation for 1-methylidene-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane?
The canonical SMILES for 1-methylidene-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane is C=C1CCC(CS(=O)(=O)CCC(F)(F)F)CC1.
What is the InChIKey of 1-methylidene-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane?
The InChIKey is IWGONFUMKDFZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O2S/c1-9-2-4-10(5-3-9)8-17(15,16)7-6-11(12,13)14/h10H,1-8H2.
What are the key properties of 1-methylidene-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane?
1-methylidene-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane has a molecular weight of 270.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexane is sourced from PubChem (CID 59378265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).