3,5-bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine

C10H10F9N — CID 129207487

IUPAC3,5-bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine
SMILESC=C(F)C(F)(F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C10H10F9N/c1-5(11)10(18,19)20-3-6(8(12,13)14)2-7(4-20)9(15,16)17/h6-7H,1-4H2
InChIKeyJEEQUCJDKCSIQZ-UHFFFAOYSA-N
MW315.18 g/mol
LogP4.13
Rot. Bonds2

About 3,5-bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine

3,5-bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine (PubChem CID 129207487) has the molecular formula C10H10F9N and a molecular weight of 315.18 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine
PubChem CID129207487
Molecular FormulaC10H10F9N
Molecular Weight315.18 g/mol
Exact Mass315.07
IUPAC Name3,5-bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine
SMILESC=C(F)C(F)(F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1
InChIInChI=1S/C10H10F9N/c1-5(11)10(18,19)20-3-6(8(12,13)14)2-7(4-20)9(15,16)17/h6-7H,1-4H2
InChIKeyJEEQUCJDKCSIQZ-UHFFFAOYSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 54.13
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-Allyl-4-(trifluoromethyl)piperidine
CID 17986135
1-(1,1,2,3,3-Pentafluoroprop-2-enyl)piperidine
CID 67894316
(3R)-3-methyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine
CID 87057953
(3S)-3-methyl-1-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]piperidine
CID 88915935
(3R)-1-(2,2-difluoroethyl)-3-(fluoromethyl)piperidine
CID 117812939
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-[(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
1-[4,4,4-Trifluoro-3-(trifluoromethyl)butyl]piperidine
CID 123139858
(3S)-3-(difluoromethyl)-1-prop-2-enylpiperidine
CID 123163152

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine?
The IUPAC name of 3,5-bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine (CID 129207487) is 3,5-bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine.
What is the SMILES notation for 3,5-bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine?
The canonical SMILES for 3,5-bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine is C=C(F)C(F)(F)N1CC(C(F)(F)F)CC(C(F)(F)F)C1.
What is the InChIKey of 3,5-bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine?
The InChIKey is JEEQUCJDKCSIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F9N/c1-5(11)10(18,19)20-3-6(8(12,13)14)2-7(4-20)9(15,16)17/h6-7H,1-4H2.
What are the key properties of 3,5-bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine?
3,5-bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine has a molecular weight of 315.18 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)-1-(1,1,2-trifluoroprop-2-enyl)piperidine is sourced from PubChem (CID 129207487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).