3-(difluoromethyl)-5-methylidenepiperidine

C7H11F2N — CID 91512927

IUPAC3-(difluoromethyl)-5-methylidenepiperidine
SMILESC=C1CNCC(C(F)F)C1
InChIInChI=1S/C7H11F2N/c1-5-2-6(7(8)9)4-10-3-5/h6-7,10H,1-4H2
InChIKeyRDDXMZLYXBLPEV-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.42
Rot. Bonds1

About 3-(difluoromethyl)-5-methylidenepiperidine

3-(difluoromethyl)-5-methylidenepiperidine (PubChem CID 91512927) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-methylidenepiperidine.

Molecular Properties

Compound Name3-(difluoromethyl)-5-methylidenepiperidine
PubChem CID91512927
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name3-(difluoromethyl)-5-methylidenepiperidine
SMILESC=C1CNCC(C(F)F)C1
InChIInChI=1S/C7H11F2N/c1-5-2-6(7(8)9)4-10-3-5/h6-7,10H,1-4H2
InChIKeyRDDXMZLYXBLPEV-UHFFFAOYSA-N
XLogP1.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.42
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-(difluoromethyl)-5-methylidenepiperidine?
The IUPAC name of 3-(difluoromethyl)-5-methylidenepiperidine (CID 91512927) is 3-(difluoromethyl)-5-methylidenepiperidine.
What is the SMILES notation for 3-(difluoromethyl)-5-methylidenepiperidine?
The canonical SMILES for 3-(difluoromethyl)-5-methylidenepiperidine is C=C1CNCC(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)-5-methylidenepiperidine?
The InChIKey is RDDXMZLYXBLPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c1-5-2-6(7(8)9)4-10-3-5/h6-7,10H,1-4H2.
What are the key properties of 3-(difluoromethyl)-5-methylidenepiperidine?
3-(difluoromethyl)-5-methylidenepiperidine has a molecular weight of 147.17 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-methylidenepiperidine is sourced from PubChem (CID 91512927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).