ethane;2-ethylpiperidine;2,2,2-trifluoroacetic acid

C11H22F3NO2 — CID 157165556

IUPACethane;2-ethylpiperidine;2,2,2-trifluoroacetic acid
SMILESCC.CCC1CCCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15N.C2HF3O2.C2H6/c1-2-7-5-3-4-6-8-7;3-2(4,5)1(6)7;1-2/h7-8H,2-6H2,1H3;(H,6,7);1-2H3
InChIKeyOGVGJQBLNSTOIU-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.20
Rot. Bonds1

About ethane;2-ethylpiperidine;2,2,2-trifluoroacetic acid

ethane;2-ethylpiperidine;2,2,2-trifluoroacetic acid (PubChem CID 157165556) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is ethane;2-ethylpiperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameethane;2-ethylpiperidine;2,2,2-trifluoroacetic acid
PubChem CID157165556
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC Nameethane;2-ethylpiperidine;2,2,2-trifluoroacetic acid
SMILESCC.CCC1CCCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15N.C2HF3O2.C2H6/c1-2-7-5-3-4-6-8-7;3-2(4,5)1(6)7;1-2/h7-8H,2-6H2,1H3;(H,6,7);1-2H3
InChIKeyOGVGJQBLNSTOIU-UHFFFAOYSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylpiperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of ethane;2-ethylpiperidine;2,2,2-trifluoroacetic acid (CID 157165556) is ethane;2-ethylpiperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for ethane;2-ethylpiperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for ethane;2-ethylpiperidine;2,2,2-trifluoroacetic acid is CC.CCC1CCCCN1.O=C(O)C(F)(F)F.
What is the InChIKey of ethane;2-ethylpiperidine;2,2,2-trifluoroacetic acid?
The InChIKey is OGVGJQBLNSTOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C2HF3O2.C2H6/c1-2-7-5-3-4-6-8-7;3-2(4,5)1(6)7;1-2/h7-8H,2-6H2,1H3;(H,6,7);1-2H3.
What are the key properties of ethane;2-ethylpiperidine;2,2,2-trifluoroacetic acid?
ethane;2-ethylpiperidine;2,2,2-trifluoroacetic acid has a molecular weight of 257.30 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylpiperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157165556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).