4,4-difluoro-1,2-dimethyl-3-methylidenepiperidine

C8H13F2N — CID 123411602

IUPAC4,4-difluoro-1,2-dimethyl-3-methylidenepiperidine
SMILESC=C1C(C)N(C)CCC1(F)F
InChIInChI=1S/C8H13F2N/c1-6-7(2)11(3)5-4-8(6,9)10/h7H,1,4-5H2,2-3H3
InChIKeyQQHYDRGOTIUCEL-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.90
Rot. Bonds

About 4,4-difluoro-1,2-dimethyl-3-methylidenepiperidine

4,4-difluoro-1,2-dimethyl-3-methylidenepiperidine (PubChem CID 123411602) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 4,4-difluoro-1,2-dimethyl-3-methylidenepiperidine.

Molecular Properties

Compound Name4,4-difluoro-1,2-dimethyl-3-methylidenepiperidine
PubChem CID123411602
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name4,4-difluoro-1,2-dimethyl-3-methylidenepiperidine
SMILESC=C1C(C)N(C)CCC1(F)F
InChIInChI=1S/C8H13F2N/c1-6-7(2)11(3)5-4-8(6,9)10/h7H,1,4-5H2,2-3H3
InChIKeyQQHYDRGOTIUCEL-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2-Dimethyl-4-methylidenepiperidine
CID 14947891
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-(1,2,2-Trifluoro-3-methylbut-3-enyl)piperidine
CID 124118195
1-(1,1,1,3,3-Pentafluoro-4-methylpent-4-en-2-yl)-4-(trifluoromethyl)piperazine
CID 124118205
1-(1,1,1,3-Tetrafluorobut-3-en-2-yl)piperidine
CID 129207762
1-Fluoro-2-prop-1-en-2-ylpiperidine
CID 132209010
1-(1,1,2,3,3-Pentafluoro-4-methylpent-4-enyl)piperidine
CID 134384141
1-[(2S)-1,1,1,3,3-pentafluoro-4-methylpent-4-en-2-yl]-4-(trifluoromethyl)piperazine
CID 134535646
1-[2-Methyl-4-(trifluoromethyl)penta-1,4-dien-3-yl]azepane
CID 148346968
3-Methyl-1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-5-(trifluoromethyl)piperidine
CID 149063640

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1,2-dimethyl-3-methylidenepiperidine?
The IUPAC name of 4,4-difluoro-1,2-dimethyl-3-methylidenepiperidine (CID 123411602) is 4,4-difluoro-1,2-dimethyl-3-methylidenepiperidine.
What is the SMILES notation for 4,4-difluoro-1,2-dimethyl-3-methylidenepiperidine?
The canonical SMILES for 4,4-difluoro-1,2-dimethyl-3-methylidenepiperidine is C=C1C(C)N(C)CCC1(F)F.
What is the InChIKey of 4,4-difluoro-1,2-dimethyl-3-methylidenepiperidine?
The InChIKey is QQHYDRGOTIUCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-6-7(2)11(3)5-4-8(6,9)10/h7H,1,4-5H2,2-3H3.
What are the key properties of 4,4-difluoro-1,2-dimethyl-3-methylidenepiperidine?
4,4-difluoro-1,2-dimethyl-3-methylidenepiperidine has a molecular weight of 161.19 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1,2-dimethyl-3-methylidenepiperidine is sourced from PubChem (CID 123411602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).