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

C9H16F3NO — CID 62111085

IUPAC[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESNCC1(OCC(F)(F)F)CCCCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-14-8(6-13)4-2-1-3-5-8/h1-7,13H2
InChIKeyFNOUNJYHAICKKQ-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.23
Rot. Bonds3

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

[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (PubChem CID 62111085) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
PubChem CID62111085
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESNCC1(OCC(F)(F)F)CCCCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-14-8(6-13)4-2-1-3-5-8/h1-7,13H2
InChIKeyFNOUNJYHAICKKQ-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The IUPAC name of [1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (CID 62111085) is [1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The canonical SMILES for [1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is NCC1(OCC(F)(F)F)CCCCC1.
What is the InChIKey of [1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The InChIKey is FNOUNJYHAICKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)7-14-8(6-13)4-2-1-3-5-8/h1-7,13H2.
What are the key properties of [1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
[1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine has a molecular weight of 211.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 62111085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).