[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanamine

C11H18F3NO — CID 106705969

IUPAC[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNCC1(COCC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C11H18F3NO/c12-11(13,14)7-16-6-10(5-15)4-8-1-2-9(10)3-8/h8-9H,1-7,15H2
InChIKeyGIZAQEULSYNZHS-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.33
Rot. Bonds4

About [2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanamine

[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanamine (PubChem CID 106705969) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanamine.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
PubChem CID106705969
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
SMILESNCC1(COCC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C11H18F3NO/c12-11(13,14)7-16-6-10(5-15)4-8-1-2-9(10)3-8/h8-9H,1-7,15H2
InChIKeyGIZAQEULSYNZHS-UHFFFAOYSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The IUPAC name of [2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanamine (CID 106705969) is [2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanamine.
What is the SMILES notation for [2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The canonical SMILES for [2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanamine is NCC1(COCC(F)(F)F)CC2CCC1C2.
What is the InChIKey of [2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
The InChIKey is GIZAQEULSYNZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)7-16-6-10(5-15)4-8-1-2-9(10)3-8/h8-9H,1-7,15H2.
What are the key properties of [2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanamine?
[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanamine has a molecular weight of 237.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanamine is sourced from PubChem (CID 106705969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).