4-(difluoromethylidene)-1-methylpiperidine

C7H11F2N — CID 20612506

IUPAC4-(difluoromethylidene)-1-methylpiperidine
SMILESCN1CCC(=C(F)F)CC1
InChIInChI=1S/C7H11F2N/c1-10-4-2-6(3-5-10)7(8)9/h2-5H2,1H3
InChIKeyUADNBDXDGPWSDV-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.86
Rot. Bonds

About 4-(difluoromethylidene)-1-methylpiperidine

4-(difluoromethylidene)-1-methylpiperidine (PubChem CID 20612506) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 4-(difluoromethylidene)-1-methylpiperidine.

Molecular Properties

Compound Name4-(difluoromethylidene)-1-methylpiperidine
PubChem CID20612506
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name4-(difluoromethylidene)-1-methylpiperidine
SMILESCN1CCC(=C(F)F)CC1
InChIInChI=1S/C7H11F2N/c1-10-4-2-6(3-5-10)7(8)9/h2-5H2,1H3
InChIKeyUADNBDXDGPWSDV-UHFFFAOYSA-N
XLogP1.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-4-methylidenepiperidine;1,1,1-trifluoroethane
CID 54257027
4-Methylidene-1-(2,2,2-trifluoroethyl)piperidine
CID 58902685
1-(2,2-Difluoroethyl)-4-methylidenepiperidine
CID 58902726
1-(1,3,3,3-Tetrafluoro-2-methylprop-1-enyl)piperidine
CID 118673895
1-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]piperidine
CID 124118182
1-(1,2,2-Trifluoro-3-methylbut-3-enyl)piperidine
CID 124118195
1-(1,1,2,3,3-Pentafluoro-4-methylpent-4-enyl)piperidine
CID 134384141
1-(1,2-Difluoro-2,3-dimethylbut-3-enyl)piperidine
CID 134531058
4-(Fluoromethylidene)-1-methylpiperidine
CID 139336579
1-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]piperidine
CID 145199414
4-(Difluoromethylidene)-1-methylpiperidin-1-ium
CID 163990441
4-[Bromo(fluoro)methylidene]-1-methylpiperidine
CID 165956132

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-1-methylpiperidine?
The IUPAC name of 4-(difluoromethylidene)-1-methylpiperidine (CID 20612506) is 4-(difluoromethylidene)-1-methylpiperidine.
What is the SMILES notation for 4-(difluoromethylidene)-1-methylpiperidine?
The canonical SMILES for 4-(difluoromethylidene)-1-methylpiperidine is CN1CCC(=C(F)F)CC1.
What is the InChIKey of 4-(difluoromethylidene)-1-methylpiperidine?
The InChIKey is UADNBDXDGPWSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c1-10-4-2-6(3-5-10)7(8)9/h2-5H2,1H3.
What are the key properties of 4-(difluoromethylidene)-1-methylpiperidine?
4-(difluoromethylidene)-1-methylpiperidine has a molecular weight of 147.17 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-1-methylpiperidine is sourced from PubChem (CID 20612506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).