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

C10H18F3NO — CID 62110251

IUPACN-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCNCC1(OCC(F)(F)F)CCCCC1
InChIInChI=1S/C10H18F3NO/c1-14-7-9(5-3-2-4-6-9)15-8-10(11,12)13/h14H,2-8H2,1H3
InChIKeyKEZATIMNOKKDKL-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.49
Rot. Bonds4

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

N-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (PubChem CID 62110251) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
PubChem CID62110251
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCNCC1(OCC(F)(F)F)CCCCC1
InChIInChI=1S/C10H18F3NO/c1-14-7-9(5-3-2-4-6-9)15-8-10(11,12)13/h14H,2-8H2,1H3
InChIKeyKEZATIMNOKKDKL-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (CID 62110251) is N-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is CNCC1(OCC(F)(F)F)CCCCC1.
What is the InChIKey of N-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The InChIKey is KEZATIMNOKKDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-14-7-9(5-3-2-4-6-9)15-8-10(11,12)13/h14H,2-8H2,1H3.
What are the key properties of N-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
N-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine has a molecular weight of 225.25 g/mol, XLogP of 2.49, 4 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-trifluoroethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 62110251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).