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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Related Compounds

2,6-difluoro-3-piperidin-4-ylaniline
CID 165455594
2,3-difluoro-6-piperidin-4-ylbenzonitrile
CID 177334116
4-[2-(difluoromethoxy)-3,4-difluorophenyl]piperidine;hydrochloride
CID 177334106
4-(2,3-difluorophenyl)azepane
CID 83262443
4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 169452686
[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 175791183
[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridin-1-yl)methanone
CID 167682590
4-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperidine
CID 117463462
4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine
CID 83392377
4-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine
CID 16679514
4-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride
CID 134691211
[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(5-piperazin-1-ylsulfanyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)methanone
CID 166919322

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).