N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine

C12H22F3NO — CID 62724778

IUPACN-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
SMILESCNCC1(CCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C12H22F3NO/c1-16-9-11(5-3-2-4-6-11)7-8-17-10-12(13,14)15/h16H,2-10H2,1H3
InChIKeySDTFJYWRYICWGX-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.13
Rot. Bonds6

About N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine

N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine (PubChem CID 62724778) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
PubChem CID62724778
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
SMILESCNCC1(CCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C12H22F3NO/c1-16-9-11(5-3-2-4-6-11)7-8-17-10-12(13,14)15/h16H,2-10H2,1H3
InChIKeySDTFJYWRYICWGX-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine (CID 62724778) is N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine is CNCC1(CCOCC(F)(F)F)CCCCC1.
What is the InChIKey of N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine?
The InChIKey is SDTFJYWRYICWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-16-9-11(5-3-2-4-6-11)7-8-17-10-12(13,14)15/h16H,2-10H2,1H3.
What are the key properties of N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine?
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine has a molecular weight of 253.31 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 62724778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).