4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidine

C14H17ClF3NO — CID 11695232

IUPAC4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidine
SMILESCCN1CCC(c2cccc(OC(F)(F)F)c2Cl)CC1
InChIInChI=1S/C14H17ClF3NO/c1-2-19-8-6-10(7-9-19)11-4-3-5-12(13(11)15)20-14(16,17)18/h3-5,10H,2,6-9H2,1H3
InChIKeyMZVVBOZYRKEHOS-UHFFFAOYSA-N
MW307.74 g/mol
LogP4.44
Rot. Bonds3

About 4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidine

4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidine (PubChem CID 11695232) has the molecular formula C14H17ClF3NO and a molecular weight of 307.74 g/mol. Its IUPAC name is 4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidine.

Molecular Properties

Compound Name4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidine
PubChem CID11695232
Molecular FormulaC14H17ClF3NO
Molecular Weight307.74 g/mol
Exact Mass307.10
IUPAC Name4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidine
SMILESCCN1CCC(c2cccc(OC(F)(F)F)c2Cl)CC1
InChIInChI=1S/C14H17ClF3NO/c1-2-19-8-6-10(7-9-19)11-4-3-5-12(13(11)15)20-14(16,17)18/h3-5,10H,2,6-9H2,1H3
InChIKeyMZVVBOZYRKEHOS-UHFFFAOYSA-N
XLogP4.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidine?
The IUPAC name of 4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidine (CID 11695232) is 4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidine.
What is the SMILES notation for 4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidine?
The canonical SMILES for 4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidine is CCN1CCC(c2cccc(OC(F)(F)F)c2Cl)CC1.
What is the InChIKey of 4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidine?
The InChIKey is MZVVBOZYRKEHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NO/c1-2-19-8-6-10(7-9-19)11-4-3-5-12(13(11)15)20-14(16,17)18/h3-5,10H,2,6-9H2,1H3.
What are the key properties of 4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidine?
4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidine has a molecular weight of 307.74 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-3-(trifluoromethoxy)phenyl]-1-ethylpiperidine is sourced from PubChem (CID 11695232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).