N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine

C12H22F3NO — CID 106797855

IUPACN-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine
SMILESCCNC(C)C1(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-3-16-10(2)11(6-7-11)5-4-8-17-9-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyLIIUHPKHQMYCLP-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds8

About N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine

N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine (PubChem CID 106797855) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine
PubChem CID106797855
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine
SMILESCCNC(C)C1(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-3-16-10(2)11(6-7-11)5-4-8-17-9-12(13,14)15/h10,16H,3-9H2,1-2H3
InChIKeyLIIUHPKHQMYCLP-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
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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Related Compounds

1-(1-chloroethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane
CID 106798516
N-[1-[1-(3-ethoxypropyl)cyclopropyl]ethyl]propan-1-amine
CID 106798002
N-[1-[1-[3-(2-methoxyethoxy)propyl]cyclopropyl]ethyl]propan-1-amine
CID 106797997
N-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114113640
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol
CID 106798292
1-cyclopropyl-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62600415
N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148516
[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol
CID 66023665
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
N-ethyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropyl]ethanamine
CID 106797794
1-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine
CID 62622346
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine (CID 106797855) is N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine is CCNC(C)C1(CCCOCC(F)(F)F)CC1.
What is the InChIKey of N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine?
The InChIKey is LIIUHPKHQMYCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-3-16-10(2)11(6-7-11)5-4-8-17-9-12(13,14)15/h10,16H,3-9H2,1-2H3.
What are the key properties of N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine?
N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine is sourced from PubChem (CID 106797855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).