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

C14H24F3NO — CID 62725556

IUPACN-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
SMILESCCNCC1(CCOCC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C14H24F3NO/c1-2-18-9-13(5-6-19-10-14(15,16)17)8-11-3-4-12(13)7-11/h11-12,18H,2-10H2,1H3
InChIKeyMFOHBORWTPBKQT-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.37
Rot. Bonds7

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

N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine (PubChem CID 62725556) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
PubChem CID62725556
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
SMILESCCNCC1(CCOCC(F)(F)F)CC2CCC1C2
InChIInChI=1S/C14H24F3NO/c1-2-18-9-13(5-6-19-10-14(15,16)17)8-11-3-4-12(13)7-11/h11-12,18H,2-10H2,1H3
InChIKeyMFOHBORWTPBKQT-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine (CID 62725556) is N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine is CCNCC1(CCOCC(F)(F)F)CC2CCC1C2.
What is the InChIKey of N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
The InChIKey is MFOHBORWTPBKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-2-18-9-13(5-6-19-10-14(15,16)17)8-11-3-4-12(13)7-11/h11-12,18H,2-10H2,1H3.
What are the key properties of N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine?
N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine has a molecular weight of 279.35 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine is sourced from PubChem (CID 62725556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).