1-(2,2-difluoroethyl)-4-methylidenepiperidine

C8H13F2N — CID 58902726

IUPAC1-(2,2-difluoroethyl)-4-methylidenepiperidine
SMILESC=C1CCN(CC(F)F)CC1
InChIInChI=1S/C8H13F2N/c1-7-2-4-11(5-3-7)6-8(9)10/h8H,1-6H2
InChIKeyYHCBMUMLUNIYBC-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.90
Rot. Bonds2

About 1-(2,2-difluoroethyl)-4-methylidenepiperidine

1-(2,2-difluoroethyl)-4-methylidenepiperidine (PubChem CID 58902726) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-methylidenepiperidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-methylidenepiperidine
PubChem CID58902726
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name1-(2,2-difluoroethyl)-4-methylidenepiperidine
SMILESC=C1CCN(CC(F)F)CC1
InChIInChI=1S/C8H13F2N/c1-7-2-4-11(5-3-7)6-8(9)10/h8H,1-6H2
InChIKeyYHCBMUMLUNIYBC-UHFFFAOYSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-methylidenepiperidine?
The IUPAC name of 1-(2,2-difluoroethyl)-4-methylidenepiperidine (CID 58902726) is 1-(2,2-difluoroethyl)-4-methylidenepiperidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-methylidenepiperidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-methylidenepiperidine is C=C1CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-methylidenepiperidine?
The InChIKey is YHCBMUMLUNIYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-7-2-4-11(5-3-7)6-8(9)10/h8H,1-6H2.
What are the key properties of 1-(2,2-difluoroethyl)-4-methylidenepiperidine?
1-(2,2-difluoroethyl)-4-methylidenepiperidine has a molecular weight of 161.19 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-methylidenepiperidine is sourced from PubChem (CID 58902726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).