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

C13H24F3NO — CID 62594883

IUPAC4-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESCCCC1CCC(N)(CCOCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-2-3-11-4-6-12(17,7-5-11)8-9-18-10-13(14,15)16/h11H,2-10,17H2,1H3
InChIKeyKFJAEEVVICULRB-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.64
Rot. Bonds6

About 4-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine

4-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (PubChem CID 62594883) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
PubChem CID62594883
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name4-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
SMILESCCCC1CCC(N)(CCOCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-2-3-11-4-6-12(17,7-5-11)8-9-18-10-13(14,15)16/h11H,2-10,17H2,1H3
InChIKeyKFJAEEVVICULRB-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.64
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-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine (CID 62594883) is 4-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is CCCC1CCC(N)(CCOCC(F)(F)F)CC1.
What is the InChIKey of 4-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
The InChIKey is KFJAEEVVICULRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-2-3-11-4-6-12(17,7-5-11)8-9-18-10-13(14,15)16/h11H,2-10,17H2,1H3.
What are the key properties of 4-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine?
4-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 62594883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).