1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine

C10H15F6N — CID 123139858

IUPAC1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine
SMILESFC(F)(F)C(CCN1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H15F6N/c11-9(12,13)8(10(14,15)16)4-7-17-5-2-1-3-6-17/h8H,1-7H2
InChIKeyHJVZVVZTWHGZGA-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.60
Rot. Bonds3

About 1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine

1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine (PubChem CID 123139858) has the molecular formula C10H15F6N and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine.

Molecular Properties

Compound Name1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine
PubChem CID123139858
Molecular FormulaC10H15F6N
Molecular Weight263.22 g/mol
Exact Mass263.11
IUPAC Name1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine
SMILESFC(F)(F)C(CCN1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H15F6N/c11-9(12,13)8(10(14,15)16)4-7-17-5-2-1-3-6-17/h8H,1-7H2
InChIKeyHJVZVVZTWHGZGA-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2,3,3,3-Pentafluoropropyl)piperidine
CID 10976891
1-Propyl-4-(trifluoromethyl)piperidine
CID 17951327
4,4-Difluoro-1-propylpiperidine
CID 45790542
1-(2,2-Difluoropropyl)piperidine
CID 51357996
1-(2,2,3,3-Tetrafluoropropyl)piperidine
CID 12554035
1-[3,3,3-Trifluoro-2-(trifluoromethyl)propyl]piperidine
CID 145231112
(3R)-1-methyl-3-(trifluoromethyl)piperidine
CID 1541695
(3S)-1-methyl-3-(trifluoromethyl)piperidine
CID 1541696
1-Methyl-3-(trifluoromethyl)piperidine
CID 4486325
1-(2,2,3,4,4,4-Hexafluorobutyl)piperidine
CID 17997710
N-Methyl-4-trifluoromethylpiperidine
CID 18711403
2,2,3,3,4,4,5,5,6,6-Decafluoro-1-pentylpiperidine
CID 19783528

Frequently Asked Questions

What is the IUPAC name of 1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine?
The IUPAC name of 1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine (CID 123139858) is 1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine.
What is the SMILES notation for 1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine?
The canonical SMILES for 1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine is FC(F)(F)C(CCN1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine?
The InChIKey is HJVZVVZTWHGZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6N/c11-9(12,13)8(10(14,15)16)4-7-17-5-2-1-3-6-17/h8H,1-7H2.
What are the key properties of 1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine?
1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine has a molecular weight of 263.22 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine is sourced from PubChem (CID 123139858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).