4-[(3Z,5E)-4,5-difluoro-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-1-methylpiperidine

C14H18F5N — CID 144954999

IUPAC4-[(3Z,5E)-4,5-difluoro-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-1-methylpiperidine
SMILESC=C(/C(=C(F)\C(F)=C/C)C(F)(F)F)C1CCN(C)CC1
InChIInChI=1S/C14H18F5N/c1-4-11(15)13(16)12(14(17,18)19)9(2)10-5-7-20(3)8-6-10/h4,10H,2,5-8H2,1,3H3/b11-4+,13-12-
InChIKeyGAWCJHDTFUYEKA-NEFRPEFFSA-N
MW295.29 g/mol
LogP4.54
Rot. Bonds3

About 4-[(3Z,5E)-4,5-difluoro-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-1-methylpiperidine

4-[(3Z,5E)-4,5-difluoro-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-1-methylpiperidine (PubChem CID 144954999) has the molecular formula C14H18F5N and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-[(3Z,5E)-4,5-difluoro-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(3Z,5E)-4,5-difluoro-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-1-methylpiperidine
PubChem CID144954999
Molecular FormulaC14H18F5N
Molecular Weight295.29 g/mol
Exact Mass295.14
IUPAC Name4-[(3Z,5E)-4,5-difluoro-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-1-methylpiperidine
SMILESC=C(/C(=C(F)\C(F)=C/C)C(F)(F)F)C1CCN(C)CC1
InChIInChI=1S/C14H18F5N/c1-4-11(15)13(16)12(14(17,18)19)9(2)10-5-7-20(3)8-6-10/h4,10H,2,5-8H2,1,3H3/b11-4+,13-12-
InChIKeyGAWCJHDTFUYEKA-NEFRPEFFSA-N
XLogP4.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3Z,5E)-4,5-difluoro-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-1-methylpiperidine?
The IUPAC name of 4-[(3Z,5E)-4,5-difluoro-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-1-methylpiperidine (CID 144954999) is 4-[(3Z,5E)-4,5-difluoro-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[(3Z,5E)-4,5-difluoro-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-1-methylpiperidine?
The canonical SMILES for 4-[(3Z,5E)-4,5-difluoro-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-1-methylpiperidine is C=C(/C(=C(F)\C(F)=C/C)C(F)(F)F)C1CCN(C)CC1.
What is the InChIKey of 4-[(3Z,5E)-4,5-difluoro-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-1-methylpiperidine?
The InChIKey is GAWCJHDTFUYEKA-NEFRPEFFSA-N. The full InChI is InChI=1S/C14H18F5N/c1-4-11(15)13(16)12(14(17,18)19)9(2)10-5-7-20(3)8-6-10/h4,10H,2,5-8H2,1,3H3/b11-4+,13-12-.
What are the key properties of 4-[(3Z,5E)-4,5-difluoro-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-1-methylpiperidine?
4-[(3Z,5E)-4,5-difluoro-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-1-methylpiperidine has a molecular weight of 295.29 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z,5E)-4,5-difluoro-3-(trifluoromethyl)hepta-1,3,5-trien-2-yl]-1-methylpiperidine is sourced from PubChem (CID 144954999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).