ethane;piperidine;1,1,1-trifluoro-2-methoxyethane

C10H22F3NO — CID 143759831

IUPACethane;piperidine;1,1,1-trifluoro-2-methoxyethane
SMILESC1CCNCC1.CC.COCC(F)(F)F
InChIInChI=1S/C5H11N.C3H5F3O.C2H6/c1-2-4-6-5-3-1;1-7-2-3(4,5)6;1-2/h6H,1-5H2;2H2,1H3;1-2H3
InChIKeyRGGOQRVQJNTQMI-UHFFFAOYSA-N
MW229.29 g/mol
LogP2.98
Rot. Bonds1

About ethane;piperidine;1,1,1-trifluoro-2-methoxyethane

ethane;piperidine;1,1,1-trifluoro-2-methoxyethane (PubChem CID 143759831) has the molecular formula C10H22F3NO and a molecular weight of 229.29 g/mol. Its IUPAC name is ethane;piperidine;1,1,1-trifluoro-2-methoxyethane.

Molecular Properties

Compound Nameethane;piperidine;1,1,1-trifluoro-2-methoxyethane
PubChem CID143759831
Molecular FormulaC10H22F3NO
Molecular Weight229.29 g/mol
Exact Mass229.17
IUPAC Nameethane;piperidine;1,1,1-trifluoro-2-methoxyethane
SMILESC1CCNCC1.CC.COCC(F)(F)F
InChIInChI=1S/C5H11N.C3H5F3O.C2H6/c1-2-4-6-5-3-1;1-7-2-3(4,5)6;1-2/h6H,1-5H2;2H2,1H3;1-2H3
InChIKeyRGGOQRVQJNTQMI-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;piperidine;1,1,1-trifluoro-2-methoxyethane?
The IUPAC name of ethane;piperidine;1,1,1-trifluoro-2-methoxyethane (CID 143759831) is ethane;piperidine;1,1,1-trifluoro-2-methoxyethane.
What is the SMILES notation for ethane;piperidine;1,1,1-trifluoro-2-methoxyethane?
The canonical SMILES for ethane;piperidine;1,1,1-trifluoro-2-methoxyethane is C1CCNCC1.CC.COCC(F)(F)F.
What is the InChIKey of ethane;piperidine;1,1,1-trifluoro-2-methoxyethane?
The InChIKey is RGGOQRVQJNTQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H5F3O.C2H6/c1-2-4-6-5-3-1;1-7-2-3(4,5)6;1-2/h6H,1-5H2;2H2,1H3;1-2H3.
What are the key properties of ethane;piperidine;1,1,1-trifluoro-2-methoxyethane?
ethane;piperidine;1,1,1-trifluoro-2-methoxyethane has a molecular weight of 229.29 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;piperidine;1,1,1-trifluoro-2-methoxyethane is sourced from PubChem (CID 143759831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).