[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine

C14H26F3NO — CID 81011808

IUPAC[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(CCCOCC(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-2-11-5-6-13(9-18)12(8-11)4-3-7-19-10-14(15,16)17/h11-13H,2-10,18H2,1H3
InChIKeyFSEFFVOBJDQCAQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.75
Rot. Bonds7

About [4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine

[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine (PubChem CID 81011808) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
PubChem CID81011808
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(CCCOCC(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-2-11-5-6-13(9-18)12(8-11)4-3-7-19-10-14(15,16)17/h11-13H,2-10,18H2,1H3
InChIKeyFSEFFVOBJDQCAQ-UHFFFAOYSA-N
XLogP3.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.75
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 [4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine (CID 81011808) is [4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine is CCC1CCC(CN)C(CCCOCC(F)(F)F)C1.
What is the InChIKey of [4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The InChIKey is FSEFFVOBJDQCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-2-11-5-6-13(9-18)12(8-11)4-3-7-19-10-14(15,16)17/h11-13H,2-10,18H2,1H3.
What are the key properties of [4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine has a molecular weight of 281.36 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine is sourced from PubChem (CID 81011808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).