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

C10H8F11N — CID 118673875

IUPAC1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)piperidine
SMILESFC(F)=C(N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C10H8F11N/c11-7(12)6(10(19,20)21)22-2-4(8(13,14)15)1-5(3-22)9(16,17)18/h4-5H,1-3H2
InChIKeyKZHMOIREDWJRCE-UHFFFAOYSA-N
MW351.16 g/mol
LogP4.72
Rot. Bonds1

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

1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)piperidine (PubChem CID 118673875) has the molecular formula C10H8F11N and a molecular weight of 351.16 g/mol. Its IUPAC name is 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)piperidine
PubChem CID118673875
Molecular FormulaC10H8F11N
Molecular Weight351.16 g/mol
Exact Mass351.05
IUPAC Name1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)piperidine
SMILESFC(F)=C(N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C10H8F11N/c11-7(12)6(10(19,20)21)22-2-4(8(13,14)15)1-5(3-22)9(16,17)18/h4-5H,1-3H2
InChIKeyKZHMOIREDWJRCE-UHFFFAOYSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1,3,3,3-Tetrafluoro-2-(trifluoromethyl)prop-1-enyl]piperidine
CID 12243783
1-(1,1,3,3,3-Pentafluoroprop-1-en-2-yl)piperidine
CID 118673879
1-(1,1,3,3,3-Pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine
CID 118673880
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-3,5-bis(trifluoromethyl)piperidine
CID 118673891
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperidine
CID 118673893
1-(1,2,2-Trifluoroethenyl)-4-(trifluoromethyl)piperidine
CID 121241190
1-(1,2,2-Trifluoroethenyl)-3,5-bis(trifluoromethyl)piperidine
CID 121241192
4-Methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine
CID 126663367
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)-3,5-bis(trifluoromethyl)piperidine
CID 129207490
1-(1,2-Difluoroprop-2-enyl)-3,5-bis(trifluoromethyl)piperidine
CID 129207793

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)piperidine?
The IUPAC name of 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)piperidine (CID 118673875) is 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)piperidine?
The canonical SMILES for 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)piperidine is FC(F)=C(N1CC(C(F)(F)F)CC(C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)piperidine?
The InChIKey is KZHMOIREDWJRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F11N/c11-7(12)6(10(19,20)21)22-2-4(8(13,14)15)1-5(3-22)9(16,17)18/h4-5H,1-3H2.
What are the key properties of 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)piperidine?
1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)piperidine has a molecular weight of 351.16 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,5-bis(trifluoromethyl)piperidine is sourced from PubChem (CID 118673875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).