3-methyl-1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-5-(trifluoromethyl)piperidine

C11H14F7N — CID 149063640

IUPAC3-methyl-1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-5-(trifluoromethyl)piperidine
SMILESC=C(F)C(N1CC(C)CC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C11H14F7N/c1-6-3-8(10(13,14)15)5-19(4-6)9(7(2)12)11(16,17)18/h6,8-9H,2-5H2,1H3
InChIKeyQMIFIGXLARDDJS-UHFFFAOYSA-N
MW293.23 g/mol
LogP3.92
Rot. Bonds2

About 3-methyl-1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-5-(trifluoromethyl)piperidine

3-methyl-1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-5-(trifluoromethyl)piperidine (PubChem CID 149063640) has the molecular formula C11H14F7N and a molecular weight of 293.23 g/mol. Its IUPAC name is 3-methyl-1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-5-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name3-methyl-1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-5-(trifluoromethyl)piperidine
PubChem CID149063640
Molecular FormulaC11H14F7N
Molecular Weight293.23 g/mol
Exact Mass293.10
IUPAC Name3-methyl-1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-5-(trifluoromethyl)piperidine
SMILESC=C(F)C(N1CC(C)CC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C11H14F7N/c1-6-3-8(10(13,14)15)5-19(4-6)9(7(2)12)11(16,17)18/h6,8-9H,2-5H2,1H3
InChIKeyQMIFIGXLARDDJS-UHFFFAOYSA-N
XLogP3.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-5-(trifluoromethyl)piperidine?
The IUPAC name of 3-methyl-1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-5-(trifluoromethyl)piperidine (CID 149063640) is 3-methyl-1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-5-(trifluoromethyl)piperidine.
What is the SMILES notation for 3-methyl-1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-5-(trifluoromethyl)piperidine?
The canonical SMILES for 3-methyl-1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-5-(trifluoromethyl)piperidine is C=C(F)C(N1CC(C)CC(C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 3-methyl-1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-5-(trifluoromethyl)piperidine?
The InChIKey is QMIFIGXLARDDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F7N/c1-6-3-8(10(13,14)15)5-19(4-6)9(7(2)12)11(16,17)18/h6,8-9H,2-5H2,1H3.
What are the key properties of 3-methyl-1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-5-(trifluoromethyl)piperidine?
3-methyl-1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-5-(trifluoromethyl)piperidine has a molecular weight of 293.23 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-5-(trifluoromethyl)piperidine is sourced from PubChem (CID 149063640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).