N-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C13H24F3NO — CID 54962027

IUPACN-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCCC1CCCCC1
InChIInChI=1S/C13H24F3NO/c14-13(15,16)11-18-10-4-8-17-9-7-12-5-2-1-3-6-12/h12,17H,1-11H2
InChIKeyNKPDBDLDCHFSAG-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.52
Rot. Bonds8

About N-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 54962027) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID54962027
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCCC1CCCCC1
InChIInChI=1S/C13H24F3NO/c14-13(15,16)11-18-10-4-8-17-9-7-12-5-2-1-3-6-12/h12,17H,1-11H2
InChIKeyNKPDBDLDCHFSAG-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.52
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 N-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 54962027) is N-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is FC(F)(F)COCCCNCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is NKPDBDLDCHFSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c14-13(15,16)11-18-10-4-8-17-9-7-12-5-2-1-3-6-12/h12,17H,1-11H2.
What are the key properties of N-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 54962027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).