3-methylidene-4-(trifluoromethyl)piperidine

C7H10F3N — CID 91066008

IUPAC3-methylidene-4-(trifluoromethyl)piperidine
SMILESC=C1CNCCC1C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-5-4-11-3-2-6(5)7(8,9)10/h6,11H,1-4H2
InChIKeyIJLJIVXQXAYWOG-UHFFFAOYSA-N
MW165.16 g/mol
LogP1.71
Rot. Bonds

About 3-methylidene-4-(trifluoromethyl)piperidine

3-methylidene-4-(trifluoromethyl)piperidine (PubChem CID 91066008) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is 3-methylidene-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name3-methylidene-4-(trifluoromethyl)piperidine
PubChem CID91066008
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name3-methylidene-4-(trifluoromethyl)piperidine
SMILESC=C1CNCCC1C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-5-4-11-3-2-6(5)7(8,9)10/h6,11H,1-4H2
InChIKeyIJLJIVXQXAYWOG-UHFFFAOYSA-N
XLogP1.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-methylidene-4-(trifluoromethyl)piperidine?
The IUPAC name of 3-methylidene-4-(trifluoromethyl)piperidine (CID 91066008) is 3-methylidene-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 3-methylidene-4-(trifluoromethyl)piperidine?
The canonical SMILES for 3-methylidene-4-(trifluoromethyl)piperidine is C=C1CNCCC1C(F)(F)F.
What is the InChIKey of 3-methylidene-4-(trifluoromethyl)piperidine?
The InChIKey is IJLJIVXQXAYWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N/c1-5-4-11-3-2-6(5)7(8,9)10/h6,11H,1-4H2.
What are the key properties of 3-methylidene-4-(trifluoromethyl)piperidine?
3-methylidene-4-(trifluoromethyl)piperidine has a molecular weight of 165.16 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 91066008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).