3,3-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine

C12H11F6N — CID 86810876

IUPAC3,3-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine
SMILESFc1cccc(C(F)(F)F)c1N1CCCC(F)(F)C1
InChIInChI=1S/C12H11F6N/c13-9-4-1-3-8(12(16,17)18)10(9)19-6-2-5-11(14,15)7-19/h1,3-4H,2,5-7H2
InChIKeyWFXRHZQRGVSGCX-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.08
Rot. Bonds1

About 3,3-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine

3,3-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine (PubChem CID 86810876) has the molecular formula C12H11F6N and a molecular weight of 283.21 g/mol. Its IUPAC name is 3,3-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine
PubChem CID86810876
Molecular FormulaC12H11F6N
Molecular Weight283.21 g/mol
Exact Mass283.08
IUPAC Name3,3-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine
SMILESFc1cccc(C(F)(F)F)c1N1CCCC(F)(F)C1
InChIInChI=1S/C12H11F6N/c13-9-4-1-3-8(12(16,17)18)10(9)19-6-2-5-11(14,15)7-19/h1,3-4H,2,5-7H2
InChIKeyWFXRHZQRGVSGCX-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 3,3-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine (CID 86810876) is 3,3-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 3,3-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 3,3-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine is Fc1cccc(C(F)(F)F)c1N1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine?
The InChIKey is WFXRHZQRGVSGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6N/c13-9-4-1-3-8(12(16,17)18)10(9)19-6-2-5-11(14,15)7-19/h1,3-4H,2,5-7H2.
What are the key properties of 3,3-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine?
3,3-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine has a molecular weight of 283.21 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 86810876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).