4,4-difluoro-3-(trifluoromethyl)piperidine;hydrochloride

C6H9ClF5N — CID 138039740

IUPAC4,4-difluoro-3-(trifluoromethyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)C1CNCCC1(F)F
InChIInChI=1S/C6H8F5N.ClH/c7-5(8)1-2-12-3-4(5)6(9,10)11;/h4,12H,1-3H2;1H
InChIKeyOMKZZYGPLOLFCH-UHFFFAOYSA-N
MW225.59 g/mol
LogP2.22
Rot. Bonds

About 4,4-difluoro-3-(trifluoromethyl)piperidine;hydrochloride

4,4-difluoro-3-(trifluoromethyl)piperidine;hydrochloride (PubChem CID 138039740) has the molecular formula C6H9ClF5N and a molecular weight of 225.59 g/mol. Its IUPAC name is 4,4-difluoro-3-(trifluoromethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-3-(trifluoromethyl)piperidine;hydrochloride
PubChem CID138039740
Molecular FormulaC6H9ClF5N
Molecular Weight225.59 g/mol
Exact Mass225.03
IUPAC Name4,4-difluoro-3-(trifluoromethyl)piperidine;hydrochloride
SMILESCl.FC(F)(F)C1CNCCC1(F)F
InChIInChI=1S/C6H8F5N.ClH/c7-5(8)1-2-12-3-4(5)6(9,10)11;/h4,12H,1-3H2;1H
InChIKeyOMKZZYGPLOLFCH-UHFFFAOYSA-N
XLogP2.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.59
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-(trifluoromethyl)piperidine;hydrochloride?
The IUPAC name of 4,4-difluoro-3-(trifluoromethyl)piperidine;hydrochloride (CID 138039740) is 4,4-difluoro-3-(trifluoromethyl)piperidine;hydrochloride.
What is the SMILES notation for 4,4-difluoro-3-(trifluoromethyl)piperidine;hydrochloride?
The canonical SMILES for 4,4-difluoro-3-(trifluoromethyl)piperidine;hydrochloride is Cl.FC(F)(F)C1CNCCC1(F)F.
What is the InChIKey of 4,4-difluoro-3-(trifluoromethyl)piperidine;hydrochloride?
The InChIKey is OMKZZYGPLOLFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5N.ClH/c7-5(8)1-2-12-3-4(5)6(9,10)11;/h4,12H,1-3H2;1H.
What are the key properties of 4,4-difluoro-3-(trifluoromethyl)piperidine;hydrochloride?
4,4-difluoro-3-(trifluoromethyl)piperidine;hydrochloride has a molecular weight of 225.59 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-(trifluoromethyl)piperidine;hydrochloride is sourced from PubChem (CID 138039740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).