2-chloro-4-(trifluoromethyl)piperidine

C6H9ClF3N — CID 42628809

IUPAC2-chloro-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCNC(Cl)C1
InChIInChI=1S/C6H9ClF3N/c7-5-3-4(1-2-11-5)6(8,9)10/h4-5,11H,1-3H2
InChIKeyKOJIBJDDXWDBHO-UHFFFAOYSA-N
MW187.59 g/mol
LogP2.11
Rot. Bonds

About 2-chloro-4-(trifluoromethyl)piperidine

2-chloro-4-(trifluoromethyl)piperidine (PubChem CID 42628809) has the molecular formula C6H9ClF3N and a molecular weight of 187.59 g/mol. Its IUPAC name is 2-chloro-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-chloro-4-(trifluoromethyl)piperidine
PubChem CID42628809
Molecular FormulaC6H9ClF3N
Molecular Weight187.59 g/mol
Exact Mass187.04
IUPAC Name2-chloro-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCNC(Cl)C1
InChIInChI=1S/C6H9ClF3N/c7-5-3-4(1-2-11-5)6(8,9)10/h4-5,11H,1-3H2
InChIKeyKOJIBJDDXWDBHO-UHFFFAOYSA-N
XLogP2.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(trifluoromethyl)piperidine?
The IUPAC name of 2-chloro-4-(trifluoromethyl)piperidine (CID 42628809) is 2-chloro-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-chloro-4-(trifluoromethyl)piperidine?
The canonical SMILES for 2-chloro-4-(trifluoromethyl)piperidine is FC(F)(F)C1CCNC(Cl)C1.
What is the InChIKey of 2-chloro-4-(trifluoromethyl)piperidine?
The InChIKey is KOJIBJDDXWDBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClF3N/c7-5-3-4(1-2-11-5)6(8,9)10/h4-5,11H,1-3H2.
What are the key properties of 2-chloro-4-(trifluoromethyl)piperidine?
2-chloro-4-(trifluoromethyl)piperidine has a molecular weight of 187.59 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 42628809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).