3,3-difluoro-4-methylidenepiperidine;hydrochloride

C6H10ClF2N — CID 168864058

IUPAC3,3-difluoro-4-methylidenepiperidine;hydrochloride
SMILESC=C1CCNCC1(F)F.Cl
InChIInChI=1S/C6H9F2N.ClH/c1-5-2-3-9-4-6(5,7)8;/h9H,1-4H2;1H
InChIKeyMLAQIVMDIXLHIE-UHFFFAOYSA-N
MW169.60 g/mol
LogP1.59
Rot. Bonds

About 3,3-difluoro-4-methylidenepiperidine;hydrochloride

3,3-difluoro-4-methylidenepiperidine;hydrochloride (PubChem CID 168864058) has the molecular formula C6H10ClF2N and a molecular weight of 169.60 g/mol. Its IUPAC name is 3,3-difluoro-4-methylidenepiperidine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoro-4-methylidenepiperidine;hydrochloride
PubChem CID168864058
Molecular FormulaC6H10ClF2N
Molecular Weight169.60 g/mol
Exact Mass169.05
IUPAC Name3,3-difluoro-4-methylidenepiperidine;hydrochloride
SMILESC=C1CCNCC1(F)F.Cl
InChIInChI=1S/C6H9F2N.ClH/c1-5-2-3-9-4-6(5,7)8;/h9H,1-4H2;1H
InChIKeyMLAQIVMDIXLHIE-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.60
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methylenepiperidine hydrochloride
CID 22665826
4-(Difluoromethylidene)piperidine hydrochloride
CID 23448141
4-Methylenepiperidine
CID 5314658
4-(2,2,2-Trifluoroethylidene)piperidine hydrochloride
CID 165949059
2-(Difluoromethyl)-4-methylidenepiperidine
CID 23170603
4-(Difluoromethylidene)piperidine
CID 23448142
4-(3,3,3-Trifluoropropylidene)piperidine
CID 66803203
4-(Fluoromethylene)piperidine
CID 73813441
2-Fluoro-3-methylidenepiperidine
CID 90706861
3-Fluoro-5-methylidenepiperidine
CID 91005006
2-(Difluoromethyl)-5-methylidenepiperidine
CID 91063164
3-Methylidene-4-(trifluoromethyl)piperidine
CID 91066008

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methylidenepiperidine;hydrochloride?
The IUPAC name of 3,3-difluoro-4-methylidenepiperidine;hydrochloride (CID 168864058) is 3,3-difluoro-4-methylidenepiperidine;hydrochloride.
What is the SMILES notation for 3,3-difluoro-4-methylidenepiperidine;hydrochloride?
The canonical SMILES for 3,3-difluoro-4-methylidenepiperidine;hydrochloride is C=C1CCNCC1(F)F.Cl.
What is the InChIKey of 3,3-difluoro-4-methylidenepiperidine;hydrochloride?
The InChIKey is MLAQIVMDIXLHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N.ClH/c1-5-2-3-9-4-6(5,7)8;/h9H,1-4H2;1H.
What are the key properties of 3,3-difluoro-4-methylidenepiperidine;hydrochloride?
3,3-difluoro-4-methylidenepiperidine;hydrochloride has a molecular weight of 169.60 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methylidenepiperidine;hydrochloride is sourced from PubChem (CID 168864058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).