[4,4-dimethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

C11H20F3NO — CID 65052434

IUPAC[4,4-dimethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(OCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-9(2)3-5-10(7-15,6-4-9)16-8-11(12,13)14/h3-8,15H2,1-2H3
InChIKeyHRWUYBOCXFXQRQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.86
Rot. Bonds3

About [4,4-dimethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

[4,4-dimethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (PubChem CID 65052434) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is [4,4-dimethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
PubChem CID65052434
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name[4,4-dimethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(OCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-9(2)3-5-10(7-15,6-4-9)16-8-11(12,13)14/h3-8,15H2,1-2H3
InChIKeyHRWUYBOCXFXQRQ-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The IUPAC name of [4,4-dimethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (CID 65052434) is [4,4-dimethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4,4-dimethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is CC1(C)CCC(CN)(OCC(F)(F)F)CC1.
What is the InChIKey of [4,4-dimethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The InChIKey is HRWUYBOCXFXQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9(2)3-5-10(7-15,6-4-9)16-8-11(12,13)14/h3-8,15H2,1-2H3.
What are the key properties of [4,4-dimethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
[4,4-dimethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine has a molecular weight of 239.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 65052434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).