4,4-difluoro-1-(4,4,4-trifluorobutyl)-2-[4-(trifluoromethyl)phenyl]piperidine

C16H17F8N — CID 143639983

IUPAC4,4-difluoro-1-(4,4,4-trifluorobutyl)-2-[4-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)CCCN1CCC(F)(F)CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F8N/c17-14(18)7-9-25(8-1-6-15(19,20)21)13(10-14)11-2-4-12(5-3-11)16(22,23)24/h2-5,13H,1,6-10H2
InChIKeyWNQOEQMDFFTGMY-UHFFFAOYSA-N
MW375.30 g/mol
LogP5.82
Rot. Bonds4

About 4,4-difluoro-1-(4,4,4-trifluorobutyl)-2-[4-(trifluoromethyl)phenyl]piperidine

4,4-difluoro-1-(4,4,4-trifluorobutyl)-2-[4-(trifluoromethyl)phenyl]piperidine (PubChem CID 143639983) has the molecular formula C16H17F8N and a molecular weight of 375.30 g/mol. Its IUPAC name is 4,4-difluoro-1-(4,4,4-trifluorobutyl)-2-[4-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(4,4,4-trifluorobutyl)-2-[4-(trifluoromethyl)phenyl]piperidine
PubChem CID143639983
Molecular FormulaC16H17F8N
Molecular Weight375.30 g/mol
Exact Mass375.12
IUPAC Name4,4-difluoro-1-(4,4,4-trifluorobutyl)-2-[4-(trifluoromethyl)phenyl]piperidine
SMILESFC(F)(F)CCCN1CCC(F)(F)CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F8N/c17-14(18)7-9-25(8-1-6-15(19,20)21)13(10-14)11-2-4-12(5-3-11)16(22,23)24/h2-5,13H,1,6-10H2
InChIKeyWNQOEQMDFFTGMY-UHFFFAOYSA-N
XLogP5.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.30
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(4,4,4-trifluorobutyl)-2-[4-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 4,4-difluoro-1-(4,4,4-trifluorobutyl)-2-[4-(trifluoromethyl)phenyl]piperidine (CID 143639983) is 4,4-difluoro-1-(4,4,4-trifluorobutyl)-2-[4-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 4,4-difluoro-1-(4,4,4-trifluorobutyl)-2-[4-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 4,4-difluoro-1-(4,4,4-trifluorobutyl)-2-[4-(trifluoromethyl)phenyl]piperidine is FC(F)(F)CCCN1CCC(F)(F)CC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4,4-difluoro-1-(4,4,4-trifluorobutyl)-2-[4-(trifluoromethyl)phenyl]piperidine?
The InChIKey is WNQOEQMDFFTGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F8N/c17-14(18)7-9-25(8-1-6-15(19,20)21)13(10-14)11-2-4-12(5-3-11)16(22,23)24/h2-5,13H,1,6-10H2.
What are the key properties of 4,4-difluoro-1-(4,4,4-trifluorobutyl)-2-[4-(trifluoromethyl)phenyl]piperidine?
4,4-difluoro-1-(4,4,4-trifluorobutyl)-2-[4-(trifluoromethyl)phenyl]piperidine has a molecular weight of 375.30 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(4,4,4-trifluorobutyl)-2-[4-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 143639983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).