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

C11H20F3NO — CID 61491363

IUPAC2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
SMILESNC1CCCCC1CCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c12-11(13,14)8-16-7-3-5-9-4-1-2-6-10(9)15/h9-10H,1-8,15H2
InChIKeyCHOPDFHUIRSMBS-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.86
Rot. Bonds5

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

2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine (PubChem CID 61491363) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
PubChem CID61491363
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
SMILESNC1CCCCC1CCCOCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c12-11(13,14)8-16-7-3-5-9-4-1-2-6-10(9)15/h9-10H,1-8,15H2
InChIKeyCHOPDFHUIRSMBS-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.86
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-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The IUPAC name of 2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine (CID 61491363) is 2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The canonical SMILES for 2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine is NC1CCCCC1CCCOCC(F)(F)F.
What is the InChIKey of 2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The InChIKey is CHOPDFHUIRSMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)8-16-7-3-5-9-4-1-2-6-10(9)15/h9-10H,1-8,15H2.
What are the key properties of 2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine is sourced from PubChem (CID 61491363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).