2,2-difluoro-6-methylidene-1-propan-2-ylpiperidine

C9H15F2N — CID 171846587

IUPAC2,2-difluoro-6-methylidene-1-propan-2-ylpiperidine
SMILESC=C1CCCC(F)(F)N1C(C)C
InChIInChI=1S/C9H15F2N/c1-7(2)12-8(3)5-4-6-9(12,10)11/h7H,3-6H2,1-2H3
InChIKeyTYGCNQLAYMVNLC-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.99
Rot. Bonds1

About 2,2-difluoro-6-methylidene-1-propan-2-ylpiperidine

2,2-difluoro-6-methylidene-1-propan-2-ylpiperidine (PubChem CID 171846587) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 2,2-difluoro-6-methylidene-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name2,2-difluoro-6-methylidene-1-propan-2-ylpiperidine
PubChem CID171846587
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name2,2-difluoro-6-methylidene-1-propan-2-ylpiperidine
SMILESC=C1CCCC(F)(F)N1C(C)C
InChIInChI=1S/C9H15F2N/c1-7(2)12-8(3)5-4-6-9(12,10)11/h7H,3-6H2,1-2H3
InChIKeyTYGCNQLAYMVNLC-UHFFFAOYSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-methylidene-1-propan-2-ylpiperidine?
The IUPAC name of 2,2-difluoro-6-methylidene-1-propan-2-ylpiperidine (CID 171846587) is 2,2-difluoro-6-methylidene-1-propan-2-ylpiperidine.
What is the SMILES notation for 2,2-difluoro-6-methylidene-1-propan-2-ylpiperidine?
The canonical SMILES for 2,2-difluoro-6-methylidene-1-propan-2-ylpiperidine is C=C1CCCC(F)(F)N1C(C)C.
What is the InChIKey of 2,2-difluoro-6-methylidene-1-propan-2-ylpiperidine?
The InChIKey is TYGCNQLAYMVNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-7(2)12-8(3)5-4-6-9(12,10)11/h7H,3-6H2,1-2H3.
What are the key properties of 2,2-difluoro-6-methylidene-1-propan-2-ylpiperidine?
2,2-difluoro-6-methylidene-1-propan-2-ylpiperidine has a molecular weight of 175.22 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-methylidene-1-propan-2-ylpiperidine is sourced from PubChem (CID 171846587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).