2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine

C13H24F3NO — CID 54962337

IUPAC2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
SMILESCCC1CCCCC1NCCCOCC(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-2-11-6-3-4-7-12(11)17-8-5-9-18-10-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyUQNUUORGTAJZNB-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds7

About 2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine

2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine (PubChem CID 54962337) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
PubChem CID54962337
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
SMILESCCC1CCCCC1NCCCOCC(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-2-11-6-3-4-7-12(11)17-8-5-9-18-10-13(14,15)16/h11-12,17H,2-10H2,1H3
InChIKeyUQNUUORGTAJZNB-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
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 2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The IUPAC name of 2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine (CID 54962337) is 2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The canonical SMILES for 2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine is CCC1CCCCC1NCCCOCC(F)(F)F.
What is the InChIKey of 2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The InChIKey is UQNUUORGTAJZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-2-11-6-3-4-7-12(11)17-8-5-9-18-10-13(14,15)16/h11-12,17H,2-10H2,1H3.
What are the key properties of 2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine is sourced from PubChem (CID 54962337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).