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

C11H11F10N — CID 129207966

IUPAC1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine
SMILESC=C(F)C(N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C11H11F10N/c1-5(12)8(11(19,20)21)22-3-6(9(13,14)15)2-7(4-22)10(16,17)18/h6-8H,1-4H2
InChIKeyMIFSULFXHHVDJC-UHFFFAOYSA-N
MW347.20 g/mol
LogP4.46
Rot. Bonds2

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

1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine (PubChem CID 129207966) has the molecular formula C11H11F10N and a molecular weight of 347.20 g/mol. Its IUPAC name is 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine
PubChem CID129207966
Molecular FormulaC11H11F10N
Molecular Weight347.20 g/mol
Exact Mass347.07
IUPAC Name1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine
SMILESC=C(F)C(N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C11H11F10N/c1-5(12)8(11(19,20)21)22-3-6(9(13,14)15)2-7(4-22)10(16,17)18/h6-8H,1-4H2
InChIKeyMIFSULFXHHVDJC-UHFFFAOYSA-N
XLogP4.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
1-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine
CID 129207490
1-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine
CID 129207499
1-(1,1,1,3-Tetrafluorobut-3-en-2-yl)piperidine
CID 129207762
1-(1,2-Difluoroprop-2-enyl)-4-(trifluoromethyl)piperidine
CID 129207792
1-(1,2-Difluoroprop-2-enyl)-3,5-bis(trifluoromethyl)piperidine
CID 129207793

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine?
The IUPAC name of 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine (CID 129207966) is 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine?
The canonical SMILES for 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine is C=C(F)C(N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine?
The InChIKey is MIFSULFXHHVDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F10N/c1-5(12)8(11(19,20)21)22-3-6(9(13,14)15)2-7(4-22)10(16,17)18/h6-8H,1-4H2.
What are the key properties of 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine?
1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine has a molecular weight of 347.20 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,5-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 129207966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).