1-[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine

C12H22F3NO — CID 62110922

IUPAC1-[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)(OCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-3-10-4-6-11(7-5-10,8-16-2)17-9-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyCREAEDKRZYBXDK-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds5

About 1-[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine

1-[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine (PubChem CID 62110922) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine
PubChem CID62110922
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)(OCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-3-10-4-6-11(7-5-10,8-16-2)17-9-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyCREAEDKRZYBXDK-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine (CID 62110922) is 1-[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine is CCC1CCC(CNC)(OCC(F)(F)F)CC1.
What is the InChIKey of 1-[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine?
The InChIKey is CREAEDKRZYBXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-3-10-4-6-11(7-5-10,8-16-2)17-9-12(13,14)15/h10,16H,3-9H2,1-2H3.
What are the key properties of 1-[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine?
1-[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 62110922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).