1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine

C9H9F8N — CID 118673880

IUPAC1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine
SMILESFC(F)=C(N1CCC(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C9H9F8N/c10-7(11)6(9(15,16)17)18-3-1-5(2-4-18)8(12,13)14/h5H,1-4H2
InChIKeyAOEBOSGMXJIVHL-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.93
Rot. Bonds1

About 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine

1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine (PubChem CID 118673880) has the molecular formula C9H9F8N and a molecular weight of 283.16 g/mol. Its IUPAC name is 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine
PubChem CID118673880
Molecular FormulaC9H9F8N
Molecular Weight283.16 g/mol
Exact Mass283.06
IUPAC Name1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine
SMILESFC(F)=C(N1CCC(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C9H9F8N/c10-7(11)6(9(15,16)17)18-3-1-5(2-4-18)8(12,13)14/h5H,1-4H2
InChIKeyAOEBOSGMXJIVHL-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine (CID 118673880) is 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine is FC(F)=C(N1CCC(C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine?
The InChIKey is AOEBOSGMXJIVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F8N/c10-7(11)6(9(15,16)17)18-3-1-5(2-4-18)8(12,13)14/h5H,1-4H2.
What are the key properties of 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine?
1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperidine has a molecular weight of 283.16 g/mol, XLogP of 3.93, 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)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 118673880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).