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

C11H20F3NO — CID 62724282

IUPAC[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
SMILESNCC1(CCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)9-16-7-6-10(8-15)4-2-1-3-5-10/h1-9,15H2
InChIKeyFMYOSIBMVXBZPH-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.86
Rot. Bonds5

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

[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine (PubChem CID 62724282) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is [1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
PubChem CID62724282
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
SMILESNCC1(CCOCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)9-16-7-6-10(8-15)4-2-1-3-5-10/h1-9,15H2
InChIKeyFMYOSIBMVXBZPH-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.86
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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Related Compounds

2-[1-(Aminomethyl)cyclohexyl]ethyl 2,2,2-trifluoroacetate
CID 175375923
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095682
2-Ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
CID 55106535
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]ethanamine
CID 55106594
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-1-amine
CID 55106643
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61490290
2-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine
CID 62723303
2-Methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62723497
[1-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 62724691
[4-Tert-butyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
CID 62724702
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine
CID 62724778
[4-Tert-butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 62724900

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine?
The IUPAC name of [1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine (CID 62724282) is [1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine is NCC1(CCOCC(F)(F)F)CCCCC1.
What is the InChIKey of [1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine?
The InChIKey is FMYOSIBMVXBZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)9-16-7-6-10(8-15)4-2-1-3-5-10/h1-9,15H2.
What are the key properties of [1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine?
[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine has a molecular weight of 239.28 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 62724282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).