4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine

C12H12F5N — CID 118483533

IUPAC4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine
SMILESFc1ccc(C2CCNCC2)c(C(F)(F)F)c1F
InChIInChI=1S/C12H12F5N/c13-9-2-1-8(7-3-5-18-6-4-7)10(11(9)14)12(15,16)17/h1-2,7,18H,3-6H2
InChIKeyCFWQHBVZNMPCOC-UHFFFAOYSA-N
MW265.22 g/mol
LogP3.45
Rot. Bonds1

About 4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine

4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine (PubChem CID 118483533) has the molecular formula C12H12F5N and a molecular weight of 265.22 g/mol. Its IUPAC name is 4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine
PubChem CID118483533
Molecular FormulaC12H12F5N
Molecular Weight265.22 g/mol
Exact Mass265.09
IUPAC Name4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine
SMILESFc1ccc(C2CCNCC2)c(C(F)(F)F)c1F
InChIInChI=1S/C12H12F5N/c13-9-2-1-8(7-3-5-18-6-4-7)10(11(9)14)12(15,16)17/h1-2,7,18H,3-6H2
InChIKeyCFWQHBVZNMPCOC-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine (CID 118483533) is 4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine is Fc1ccc(C2CCNCC2)c(C(F)(F)F)c1F.
What is the InChIKey of 4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine?
The InChIKey is CFWQHBVZNMPCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F5N/c13-9-2-1-8(7-3-5-18-6-4-7)10(11(9)14)12(15,16)17/h1-2,7,18H,3-6H2.
What are the key properties of 4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine?
4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine has a molecular weight of 265.22 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 118483533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).