4-(4,4,4-trifluorobutylidene)piperidine

C9H14F3N — CID 115519751

IUPAC4-(4,4,4-trifluorobutylidene)piperidine
SMILESFC(F)(F)CCC=C1CCNCC1
InChIInChI=1S/C9H14F3N/c10-9(11,12)5-1-2-8-3-6-13-7-4-8/h2,13H,1,3-7H2
InChIKeyMNMGGQPBDJKDQX-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.64
Rot. Bonds2

About 4-(4,4,4-trifluorobutylidene)piperidine

4-(4,4,4-trifluorobutylidene)piperidine (PubChem CID 115519751) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-(4,4,4-trifluorobutylidene)piperidine.

Molecular Properties

Compound Name4-(4,4,4-trifluorobutylidene)piperidine
PubChem CID115519751
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name4-(4,4,4-trifluorobutylidene)piperidine
SMILESFC(F)(F)CCC=C1CCNCC1
InChIInChI=1S/C9H14F3N/c10-9(11,12)5-1-2-8-3-6-13-7-4-8/h2,13H,1,3-7H2
InChIKeyMNMGGQPBDJKDQX-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
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 4-(4,4,4-trifluorobutylidene)piperidine?
The IUPAC name of 4-(4,4,4-trifluorobutylidene)piperidine (CID 115519751) is 4-(4,4,4-trifluorobutylidene)piperidine.
What is the SMILES notation for 4-(4,4,4-trifluorobutylidene)piperidine?
The canonical SMILES for 4-(4,4,4-trifluorobutylidene)piperidine is FC(F)(F)CCC=C1CCNCC1.
What is the InChIKey of 4-(4,4,4-trifluorobutylidene)piperidine?
The InChIKey is MNMGGQPBDJKDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c10-9(11,12)5-1-2-8-3-6-13-7-4-8/h2,13H,1,3-7H2.
What are the key properties of 4-(4,4,4-trifluorobutylidene)piperidine?
4-(4,4,4-trifluorobutylidene)piperidine has a molecular weight of 193.21 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,4-trifluorobutylidene)piperidine is sourced from PubChem (CID 115519751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).