4,4-difluoro-1-methyl-2-propan-2-ylidenepiperidine

C9H15F2N — CID 89210066

IUPAC4,4-difluoro-1-methyl-2-propan-2-ylidenepiperidine
SMILESCC(C)=C1CC(F)(F)CCN1C
InChIInChI=1S/C9H15F2N/c1-7(2)8-6-9(10,11)4-5-12(8)3/h4-6H2,1-3H3
InChIKeyLENXJYGIQMQWEW-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.64
Rot. Bonds

About 4,4-difluoro-1-methyl-2-propan-2-ylidenepiperidine

4,4-difluoro-1-methyl-2-propan-2-ylidenepiperidine (PubChem CID 89210066) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 4,4-difluoro-1-methyl-2-propan-2-ylidenepiperidine.

Molecular Properties

Compound Name4,4-difluoro-1-methyl-2-propan-2-ylidenepiperidine
PubChem CID89210066
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name4,4-difluoro-1-methyl-2-propan-2-ylidenepiperidine
SMILESCC(C)=C1CC(F)(F)CCN1C
InChIInChI=1S/C9H15F2N/c1-7(2)8-6-9(10,11)4-5-12(8)3/h4-6H2,1-3H3
InChIKeyLENXJYGIQMQWEW-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methyl-2-propan-2-ylidenepiperidine?
The IUPAC name of 4,4-difluoro-1-methyl-2-propan-2-ylidenepiperidine (CID 89210066) is 4,4-difluoro-1-methyl-2-propan-2-ylidenepiperidine.
What is the SMILES notation for 4,4-difluoro-1-methyl-2-propan-2-ylidenepiperidine?
The canonical SMILES for 4,4-difluoro-1-methyl-2-propan-2-ylidenepiperidine is CC(C)=C1CC(F)(F)CCN1C.
What is the InChIKey of 4,4-difluoro-1-methyl-2-propan-2-ylidenepiperidine?
The InChIKey is LENXJYGIQMQWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-7(2)8-6-9(10,11)4-5-12(8)3/h4-6H2,1-3H3.
What are the key properties of 4,4-difluoro-1-methyl-2-propan-2-ylidenepiperidine?
4,4-difluoro-1-methyl-2-propan-2-ylidenepiperidine has a molecular weight of 175.22 g/mol, XLogP of 2.64, 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-methyl-2-propan-2-ylidenepiperidine is sourced from PubChem (CID 89210066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).