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

C10H11F8N — CID 146541119

IUPAC3-methyl-1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-5-(trifluoromethyl)piperidine
SMILESCC1CC(C(F)(F)F)CN(C(=C(F)F)C(F)(F)F)C1
InChIInChI=1S/C10H11F8N/c1-5-2-6(9(13,14)15)4-19(3-5)7(8(11)12)10(16,17)18/h5-6H,2-4H2,1H3
InChIKeyBYTHMGIRUPCMTC-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.18
Rot. Bonds1

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

3-methyl-1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-5-(trifluoromethyl)piperidine (PubChem CID 146541119) has the molecular formula C10H11F8N and a molecular weight of 297.19 g/mol. Its IUPAC name is 3-methyl-1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-5-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name3-methyl-1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-5-(trifluoromethyl)piperidine
PubChem CID146541119
Molecular FormulaC10H11F8N
Molecular Weight297.19 g/mol
Exact Mass297.08
IUPAC Name3-methyl-1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-5-(trifluoromethyl)piperidine
SMILESCC1CC(C(F)(F)F)CN(C(=C(F)F)C(F)(F)F)C1
InChIInChI=1S/C10H11F8N/c1-5-2-6(9(13,14)15)4-19(3-5)7(8(11)12)10(16,17)18/h5-6H,2-4H2,1H3
InChIKeyBYTHMGIRUPCMTC-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-5-(trifluoromethyl)piperidine?
The IUPAC name of 3-methyl-1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-5-(trifluoromethyl)piperidine (CID 146541119) is 3-methyl-1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-5-(trifluoromethyl)piperidine.
What is the SMILES notation for 3-methyl-1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-5-(trifluoromethyl)piperidine?
The canonical SMILES for 3-methyl-1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-5-(trifluoromethyl)piperidine is CC1CC(C(F)(F)F)CN(C(=C(F)F)C(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-5-(trifluoromethyl)piperidine?
The InChIKey is BYTHMGIRUPCMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F8N/c1-5-2-6(9(13,14)15)4-19(3-5)7(8(11)12)10(16,17)18/h5-6H,2-4H2,1H3.
What are the key properties of 3-methyl-1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-5-(trifluoromethyl)piperidine?
3-methyl-1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-5-(trifluoromethyl)piperidine has a molecular weight of 297.19 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-5-(trifluoromethyl)piperidine is sourced from PubChem (CID 146541119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).