1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine

C11H10F11N — CID 129207490

IUPAC1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine
SMILESC=C(F)C(F)(N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C11H10F11N/c1-5(12)8(13,11(20,21)22)23-3-6(9(14,15)16)2-7(4-23)10(17,18)19/h6-7H,1-4H2
InChIKeyMYGMLRARGHQMIH-UHFFFAOYSA-N
MW365.19 g/mol
LogP4.76
Rot. Bonds2

About 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine

1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine (PubChem CID 129207490) has the molecular formula C11H10F11N and a molecular weight of 365.19 g/mol. Its IUPAC name is 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine
PubChem CID129207490
Molecular FormulaC11H10F11N
Molecular Weight365.19 g/mol
Exact Mass365.06
IUPAC Name1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine
SMILESC=C(F)C(F)(N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C11H10F11N/c1-5(12)8(13,11(20,21)22)23-3-6(9(14,15)16)2-7(4-23)10(17,18)19/h6-7H,1-4H2
InChIKeyMYGMLRARGHQMIH-UHFFFAOYSA-N
XLogP4.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(1,1,3,3,3-Pentafluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)piperidine
CID 118673875
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine
CID 118673891
1-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]-3,5-bis(trifluoromethyl)piperidine
CID 124118178
1-[1,2-Difluoro-2-(trifluoromethyl)but-3-enyl]-3,5-bis(trifluoromethyl)piperidine
CID 124118185
1-(1,2,2-Trifluorobut-3-enyl)-3,5-bis(trifluoromethyl)piperidine
CID 124118196
3,5-Bis(trifluoromethyl)-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine
CID 124118197
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]-3,5-bis(trifluoromethyl)piperidine
CID 129207485
3,5-Bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine
CID 129207487
1-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)piperidine
CID 129207488
4-(Trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine
CID 129207498
1-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine
CID 129207499
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine
CID 129207501

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine?
The IUPAC name of 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine (CID 129207490) is 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine?
The canonical SMILES for 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine is C=C(F)C(F)(N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine?
The InChIKey is MYGMLRARGHQMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F11N/c1-5(12)8(13,11(20,21)22)23-3-6(9(14,15)16)2-7(4-23)10(17,18)19/h6-7H,1-4H2.
What are the key properties of 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine?
1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine has a molecular weight of 365.19 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 129207490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).