5-(difluoromethylidene)-1,2-dimethylpiperidine

C8H13F2N — CID 170771578

IUPAC5-(difluoromethylidene)-1,2-dimethylpiperidine
SMILESCC1CCC(=C(F)F)CN1C
InChIInChI=1S/C8H13F2N/c1-6-3-4-7(8(9)10)5-11(6)2/h6H,3-5H2,1-2H3
InChIKeyGTDJXLVLTNKBAL-UHFFFAOYSA-N
MW161.19 g/mol
LogP2.25
Rot. Bonds

About 5-(difluoromethylidene)-1,2-dimethylpiperidine

5-(difluoromethylidene)-1,2-dimethylpiperidine (PubChem CID 170771578) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 5-(difluoromethylidene)-1,2-dimethylpiperidine.

Molecular Properties

Compound Name5-(difluoromethylidene)-1,2-dimethylpiperidine
PubChem CID170771578
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name5-(difluoromethylidene)-1,2-dimethylpiperidine
SMILESCC1CCC(=C(F)F)CN1C
InChIInChI=1S/C8H13F2N/c1-6-3-4-7(8(9)10)5-11(6)2/h6H,3-5H2,1-2H3
InChIKeyGTDJXLVLTNKBAL-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylidene)-1,2-dimethylpiperidine?
The IUPAC name of 5-(difluoromethylidene)-1,2-dimethylpiperidine (CID 170771578) is 5-(difluoromethylidene)-1,2-dimethylpiperidine.
What is the SMILES notation for 5-(difluoromethylidene)-1,2-dimethylpiperidine?
The canonical SMILES for 5-(difluoromethylidene)-1,2-dimethylpiperidine is CC1CCC(=C(F)F)CN1C.
What is the InChIKey of 5-(difluoromethylidene)-1,2-dimethylpiperidine?
The InChIKey is GTDJXLVLTNKBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-6-3-4-7(8(9)10)5-11(6)2/h6H,3-5H2,1-2H3.
What are the key properties of 5-(difluoromethylidene)-1,2-dimethylpiperidine?
5-(difluoromethylidene)-1,2-dimethylpiperidine has a molecular weight of 161.19 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylidene)-1,2-dimethylpiperidine is sourced from PubChem (CID 170771578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).