1-methylidene-4-(trifluoromethyl)cyclohexane

C8H11F3 — CID 12937208

IUPAC1-methylidene-4-(trifluoromethyl)cyclohexane
SMILESC=C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3/c1-6-2-4-7(5-3-6)8(9,10)11/h7H,1-5H2
InChIKeyZXYTYRCNWYFWDG-UHFFFAOYSA-N
MW164.17 g/mol
LogP3.30
Rot. Bonds

About 1-methylidene-4-(trifluoromethyl)cyclohexane

1-methylidene-4-(trifluoromethyl)cyclohexane (PubChem CID 12937208) has the molecular formula C8H11F3 and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-methylidene-4-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-methylidene-4-(trifluoromethyl)cyclohexane
PubChem CID12937208
Molecular FormulaC8H11F3
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name1-methylidene-4-(trifluoromethyl)cyclohexane
SMILESC=C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3/c1-6-2-4-7(5-3-6)8(9,10)11/h7H,1-5H2
InChIKeyZXYTYRCNWYFWDG-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-methylidene-4-(trifluoromethyl)cyclohexane (CID 12937208) is 1-methylidene-4-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-methylidene-4-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-methylidene-4-(trifluoromethyl)cyclohexane is C=C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-methylidene-4-(trifluoromethyl)cyclohexane?
The InChIKey is ZXYTYRCNWYFWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3/c1-6-2-4-7(5-3-6)8(9,10)11/h7H,1-5H2.
What are the key properties of 1-methylidene-4-(trifluoromethyl)cyclohexane?
1-methylidene-4-(trifluoromethyl)cyclohexane has a molecular weight of 164.17 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-4-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 12937208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).