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

C11H17F6N — CID 88915935

IUPAC(3S)-3-methyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine
SMILESC[C@H]1CCCN(CCC(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C11H17F6N/c1-8-3-2-5-18(7-8)6-4-9(10(12,13)14)11(15,16)17/h8-9H,2-7H2,1H3/t8-/m0/s1
InChIKeyTUQXLWWXDKOPMC-QMMMGPOBSA-N
MW277.25 g/mol
LogP3.85
Rot. Bonds3

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

(3S)-3-methyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine (PubChem CID 88915935) has the molecular formula C11H17F6N and a molecular weight of 277.25 g/mol. Its IUPAC name is (3S)-3-methyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine
PubChem CID88915935
Molecular FormulaC11H17F6N
Molecular Weight277.25 g/mol
Exact Mass277.13
IUPAC Name(3S)-3-methyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine
SMILESC[C@H]1CCCN(CCC(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C11H17F6N/c1-8-3-2-5-18(7-8)6-4-9(10(12,13)14)11(15,16)17/h8-9H,2-7H2,1H3/t8-/m0/s1
InChIKeyTUQXLWWXDKOPMC-QMMMGPOBSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine?
The IUPAC name of (3S)-3-methyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine (CID 88915935) is (3S)-3-methyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine.
What is the SMILES notation for (3S)-3-methyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine?
The canonical SMILES for (3S)-3-methyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine is C[C@H]1CCCN(CCC(C(F)(F)F)C(F)(F)F)C1.
What is the InChIKey of (3S)-3-methyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine?
The InChIKey is TUQXLWWXDKOPMC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17F6N/c1-8-3-2-5-18(7-8)6-4-9(10(12,13)14)11(15,16)17/h8-9H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-3-methyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine?
(3S)-3-methyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine has a molecular weight of 277.25 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine is sourced from PubChem (CID 88915935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).