2-ethyl-3-(1,1,1-trifluoropropan-2-ylidene)piperidine

C10H16F3N — CID 150561866

IUPAC2-ethyl-3-(1,1,1-trifluoropropan-2-ylidene)piperidine
SMILESCCC1NCCCC1=C(C)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-3-9-8(5-4-6-14-9)7(2)10(11,12)13/h9,14H,3-6H2,1-2H3
InChIKeyIKAAIHKPZGDFCQ-UHFFFAOYSA-N
MW207.24 g/mol
LogP3.03
Rot. Bonds1

About 2-ethyl-3-(1,1,1-trifluoropropan-2-ylidene)piperidine

2-ethyl-3-(1,1,1-trifluoropropan-2-ylidene)piperidine (PubChem CID 150561866) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-ethyl-3-(1,1,1-trifluoropropan-2-ylidene)piperidine.

Molecular Properties

Compound Name2-ethyl-3-(1,1,1-trifluoropropan-2-ylidene)piperidine
PubChem CID150561866
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name2-ethyl-3-(1,1,1-trifluoropropan-2-ylidene)piperidine
SMILESCCC1NCCCC1=C(C)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-3-9-8(5-4-6-14-9)7(2)10(11,12)13/h9,14H,3-6H2,1-2H3
InChIKeyIKAAIHKPZGDFCQ-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.03
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 2-ethyl-3-(1,1,1-trifluoropropan-2-ylidene)piperidine?
The IUPAC name of 2-ethyl-3-(1,1,1-trifluoropropan-2-ylidene)piperidine (CID 150561866) is 2-ethyl-3-(1,1,1-trifluoropropan-2-ylidene)piperidine.
What is the SMILES notation for 2-ethyl-3-(1,1,1-trifluoropropan-2-ylidene)piperidine?
The canonical SMILES for 2-ethyl-3-(1,1,1-trifluoropropan-2-ylidene)piperidine is CCC1NCCCC1=C(C)C(F)(F)F.
What is the InChIKey of 2-ethyl-3-(1,1,1-trifluoropropan-2-ylidene)piperidine?
The InChIKey is IKAAIHKPZGDFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c1-3-9-8(5-4-6-14-9)7(2)10(11,12)13/h9,14H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-3-(1,1,1-trifluoropropan-2-ylidene)piperidine?
2-ethyl-3-(1,1,1-trifluoropropan-2-ylidene)piperidine has a molecular weight of 207.24 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(1,1,1-trifluoropropan-2-ylidene)piperidine is sourced from PubChem (CID 150561866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).