1-ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine

C14H19F4N — CID 70954594

IUPAC1-ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
SMILESCCN1CCC(C2=CC=C(F)C(C(F)(F)F)C2)CC1
InChIInChI=1S/C14H19F4N/c1-2-19-7-5-10(6-8-19)11-3-4-13(15)12(9-11)14(16,17)18/h3-4,10,12H,2,5-9H2,1H3
InChIKeyKOGWOLXHOHQFCV-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.08
Rot. Bonds2

About 1-ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine

1-ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine (PubChem CID 70954594) has the molecular formula C14H19F4N and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine.

Molecular Properties

Compound Name1-ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
PubChem CID70954594
Molecular FormulaC14H19F4N
Molecular Weight277.31 g/mol
Exact Mass277.15
IUPAC Name1-ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine
SMILESCCN1CCC(C2=CC=C(F)C(C(F)(F)F)C2)CC1
InChIInChI=1S/C14H19F4N/c1-2-19-7-5-10(6-8-19)11-3-4-13(15)12(9-11)14(16,17)18/h3-4,10,12H,2,5-9H2,1H3
InChIKeyKOGWOLXHOHQFCV-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine?
The IUPAC name of 1-ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine (CID 70954594) is 1-ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine.
What is the SMILES notation for 1-ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine?
The canonical SMILES for 1-ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine is CCN1CCC(C2=CC=C(F)C(C(F)(F)F)C2)CC1.
What is the InChIKey of 1-ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine?
The InChIKey is KOGWOLXHOHQFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4N/c1-2-19-7-5-10(6-8-19)11-3-4-13(15)12(9-11)14(16,17)18/h3-4,10,12H,2,5-9H2,1H3.
What are the key properties of 1-ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine?
1-ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine has a molecular weight of 277.31 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-fluoro-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]piperidine is sourced from PubChem (CID 70954594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).