N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine

C13H22F3NO — CID 106705983

IUPACN-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
SMILESCCNCC1(COCC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C13H22F3NO/c1-2-17-7-12(8-18-9-13(14,15)16)6-10-3-4-11(12)5-10/h10-11,17H,2-9H2,1H3
InChIKeyCPRIOTMFSNWOAL-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.98
Rot. Bonds6

About N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine

N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine (PubChem CID 106705983) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
PubChem CID106705983
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
SMILESCCNCC1(COCC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C13H22F3NO/c1-2-17-7-12(8-18-9-13(14,15)16)6-10-3-4-11(12)5-10/h10-11,17H,2-9H2,1H3
InChIKeyCPRIOTMFSNWOAL-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine (CID 106705983) is N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine is CCNCC1(COCC(F)(F)F)CC2CCC1C2.
What is the InChIKey of N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The InChIKey is CPRIOTMFSNWOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-2-17-7-12(8-18-9-13(14,15)16)6-10-3-4-11(12)5-10/h10-11,17H,2-9H2,1H3.
What are the key properties of N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine has a molecular weight of 265.32 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2,2-trifluoroethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine is sourced from PubChem (CID 106705983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).